AC1NTMTW

2-[2-[8-[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]amino]octylamino]-6-phenylpyrimidin-4-yl]phenol

Also Known As: 6-[2-[8-[[6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-|6,6'-{Octane-1,8-diylbis[azanediyl(6-phenylpyrimidin-2-yl-4-ylidene)]}di(cyclohexa-2,4-dien-1-one)|6-[2-[8-[[6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-pyrimidin-2-yl]amino]octylamino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one|N(2),N'(2')-octanediyl-1,8 bis(amino-2 o-hydroxyphenyl-4 methyl-5 pyrimidine)|(6E)-6-[2-[8-[[4-(6-OXO-1-CYCLOHEXA-2,4-DIENYLIDENE)-6-PHENYL-3H-PYRIM IDIN-2-YL]AMINO]OCTYLAMINO]-6-PHENYL-3H-PYRIMIDIN-4-YLIDENE]CYCLOHEXA- 2,4-DIEN-1-ONE|-6-[2-[8-[[4- -6-phenyl-3H-pyrimidin-2-yl]amino]octylamino]-6-phenyl-3H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one|6-[2-[8-[[(6E)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-pyrimidin-2-yl]amino]octylamino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Molecular Formula	C40H40N6O2
Molecular Weight	636.3213 g/mol
LogP	9.3
Topological Polar Surface Area	116.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	15
Exact Mass	636.3213
Monoisotopic Mass	636.3213
Heavy Atoms	48
Complexity	814.0

Chemical Identifiers

CAS Number	92736-20-4
SMILES	C1=CC=C(C=C1)C2=CC(=NC(=N2)NCCCCCCCCNC3=NC(=CC(=N3)C4=CC=CC=C4O)C5=CC=CC=C5)C6=CC=CC=C6O
InChIKey	JRCMEOAVHMKUDG-UHFFFAOYSA-N