2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole

C32H20ClN3 — CID 139327758

IUPAC2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole
SMILESClc1nc(-c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2n1
InChIInChI=1S/C32H20ClN3/c33-32-34-28-18-16-22(19-27(28)31(35-32)21-9-3-1-4-10-21)23-15-17-26-25-13-7-8-14-29(25)36(30(26)20-23)24-11-5-2-6-12-24/h1-20H
InChIKeyDDHNBADXNWELPK-UHFFFAOYSA-N
MW481.99 g/mol
LogP8.71
Rot. Bonds3

About 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole

2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole (PubChem CID 139327758) has the molecular formula C32H20ClN3 and a molecular weight of 481.99 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole
PubChem CID139327758
Molecular FormulaC32H20ClN3
Molecular Weight481.99 g/mol
Exact Mass481.13
IUPAC Name2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole
SMILESClc1nc(-c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2n1
InChIInChI=1S/C32H20ClN3/c33-32-34-28-18-16-22(19-27(28)31(35-32)21-9-3-1-4-10-21)23-15-17-26-25-13-7-8-14-29(25)36(30(26)20-23)24-11-5-2-6-12-24/h1-20H
InChIKeyDDHNBADXNWELPK-UHFFFAOYSA-N
XLogP8.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.99
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
9-phenyl-2-[4-phenyl-2-(4-pyren-1-ylphenyl)quinazolin-6-yl]carbazole
CID 145158981

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole?
The IUPAC name of 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole (CID 139327758) is 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole is Clc1nc(-c2ccccc2)c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2n1.
What is the InChIKey of 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole?
The InChIKey is DDHNBADXNWELPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20ClN3/c33-32-34-28-18-16-22(19-27(28)31(35-32)21-9-3-1-4-10-21)23-15-17-26-25-13-7-8-14-29(25)36(30(26)20-23)24-11-5-2-6-12-24/h1-20H.
What are the key properties of 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole?
2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole has a molecular weight of 481.99 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole is sourced from PubChem (CID 139327758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).