4,11-Diazadibenzo(a,h)pyrene

3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1,3,5,7,9(23),10,12,14,16,18,20(24),21-dodecaene

CAS: 16566-62-4

Molecular Formula	`C22H12N2`
Molecular Weight	304.3 g/mol
LogP	5.6
Topological Polar Surface Area	25.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	304.10004
Heavy Atoms	24
Complexity	446.0

Chemical Identifiers

CAS Number	16566-62-4
SMILES	`C1=CC2=CC3=C4C(=C2N=C1)C=CC5=C4C(=C6C(=C5)C=CC=N6)C=C3`
InChIKey	`NOTNAPGVLJPNRJ-UHFFFAOYSA-N`

📖 Product Overview

4,11-Diazadibenzo(a,h)pyrene (CAS: 16566-62-4) is a chemical compound with molecular formula C22H12N2 and molecular weight 304.3 g/mol. Its IUPAC systematic name is 3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1,3,5,7,9(23),10,12,14,16,18,20(24),21-dodecaene. LogP 5.6 Topological Polar Surface Area 25.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 304.10004 Heavy Atoms 24 Complexity 446.0 InChI Key: NOTNAPGVLJPNRJ-UHFFFAOYSA-N. SMILES: C1=CC2=CC3=C4C(=C2N=C1)C=CC5=C4C(=C6C(=C5)C=CC=N6)C=C3.

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