2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile

C41H24N4 — CID 121337949

IUPAC2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
SMILESN#Cc1nc(-n2c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/C41H24N4/c42-25-37-34-13-5-6-15-36(34)43-41(44-37)45-38-22-21-30(24-35(38)40-33-12-4-2-9-28(33)20-23-39(40)45)26-16-18-29(19-17-26)32-14-7-10-27-8-1-3-11-31(27)32/h1-24H
InChIKeyRPCGMVXYIJZGFP-UHFFFAOYSA-N
MW572.67 g/mol
LogP10.24
Rot. Bonds3

About 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile

2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile (PubChem CID 121337949) has the molecular formula C41H24N4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
PubChem CID121337949
Molecular FormulaC41H24N4
Molecular Weight572.67 g/mol
Exact Mass572.20
IUPAC Name2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
SMILESN#Cc1nc(-n2c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/C41H24N4/c42-25-37-34-13-5-6-15-36(34)43-41(44-37)45-38-22-21-30(24-35(38)40-33-12-4-2-9-28(33)20-23-39(40)45)26-16-18-29(19-17-26)32-14-7-10-27-8-1-3-11-31(27)32/h1-24H
InChIKeyRPCGMVXYIJZGFP-UHFFFAOYSA-N
XLogP10.24
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile
CID 121337914
2-[10-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]quinazoline-4-carbonitrile;2-[3-phenyl-6-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]quinazoline-4-carbonitrile
CID 162048204
2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-5-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile
CID 161057241
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999015
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile
CID 158511731
2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile
CID 161249923
2-(10-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-[10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[4-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile
CID 157146532
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
12-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535672
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
2-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]quinoline-4-carbonitrile;2-[4-[4-(7-phenylbenzo[g]carbazol-9-yl)carbazol-9-yl]phenyl]quinazoline-4-carbonitrile
CID 162155055

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
The IUPAC name of 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile (CID 121337949) is 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile.
What is the SMILES notation for 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
The canonical SMILES for 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile is N#Cc1nc(-n2c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3c3c4ccccc4ccc32)nc2ccccc12.
What is the InChIKey of 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
The InChIKey is RPCGMVXYIJZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4/c42-25-37-34-13-5-6-15-36(34)43-41(44-37)45-38-22-21-30(24-35(38)40-33-12-4-2-9-28(33)20-23-39(40)45)26-16-18-29(19-17-26)32-14-7-10-27-8-1-3-11-31(27)32/h1-24H.
What are the key properties of 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile?
2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile has a molecular weight of 572.67 g/mol, XLogP of 10.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-naphthalen-1-ylphenyl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile is sourced from PubChem (CID 121337949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).