9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole

C36H23N3 — CID 170652213

IUPAC9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3cc4c(cc3c2)c2ccccc2n4-c2ncc3cc(-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C36H23N3/c1-3-9-24(10-4-1)26-15-16-28-22-35-32(21-29(28)19-26)31-13-7-8-14-34(31)39(35)36-37-23-30-20-27(17-18-33(30)38-36)25-11-5-2-6-12-25/h1-23H
InChIKeyCVWJSBCNWHLPPB-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.21
Rot. Bonds3

About 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole

9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 170652213) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID170652213
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3cc4c(cc3c2)c2ccccc2n4-c2ncc3cc(-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C36H23N3/c1-3-9-24(10-4-1)26-15-16-28-22-35-32(21-29(28)19-26)31-13-7-8-14-34(31)39(35)36-37-23-30-20-27(17-18-33(30)38-36)25-11-5-2-6-12-25/h1-23H
InChIKeyCVWJSBCNWHLPPB-UHFFFAOYSA-N
XLogP9.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
12-phenyl-16-quinazolin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465151
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
3-(6-phenylquinazolin-2-yl)-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 122465982
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole
CID 139570098
5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 155139599
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
18-phenyl-10-(5-phenylpyrimidin-2-yl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222785
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
5-[2-(9-naphthalen-2-ylcarbazol-3-yl)-7-phenylquinazolin-4-yl]-3-phenyl-9-[4-[3-[7-phenyl-4-(3-phenylbenzo[b]carbazol-5-yl)quinazolin-2-yl]carbazol-9-yl]phenyl]benzo[b]carbazole
CID 146539883

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole (CID 170652213) is 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2ccc3cc4c(cc3c2)c2ccccc2n4-c2ncc3cc(-c4ccccc4)ccc3n2)cc1.
What is the InChIKey of 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is CVWJSBCNWHLPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-3-9-24(10-4-1)26-15-16-28-22-35-32(21-29(28)19-26)31-13-7-8-14-34(31)39(35)36-37-23-30-20-27(17-18-33(30)38-36)25-11-5-2-6-12-25/h1-23H.
What are the key properties of 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole?
9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 497.60 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 170652213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).