6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C37H23N5 — CID 134508747

IUPAC6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(-n1c3ccccc3c3cc(-c4ccc(-c5ccncc5)cc4)ccc31)n1c3ccccc3nc21
InChIInChI=1S/C37H23N5/c1-3-9-31-29(8-1)36-39-32-10-4-6-12-35(32)42(36)37(40-31)41-33-11-5-2-7-28(33)30-23-27(17-18-34(30)41)25-15-13-24(14-16-25)26-19-21-38-22-20-26/h1-23H
InChIKeyNWSRPVQNOHSVET-UHFFFAOYSA-N
MW537.63 g/mol
LogP8.86
Rot. Bonds3

About 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508747) has the molecular formula C37H23N5 and a molecular weight of 537.63 g/mol. Its IUPAC name is 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508747
Molecular FormulaC37H23N5
Molecular Weight537.63 g/mol
Exact Mass537.20
IUPAC Name6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(-n1c3ccccc3c3cc(-c4ccc(-c5ccncc5)cc4)ccc31)n1c3ccccc3nc21
InChIInChI=1S/C37H23N5/c1-3-9-31-29(8-1)36-39-32-10-4-6-12-35(32)42(36)37(40-31)41-33-11-5-2-7-28(33)30-23-27(17-18-34(30)41)25-15-13-24(14-16-25)26-19-21-38-22-20-26/h1-23H
InChIKeyNWSRPVQNOHSVET-UHFFFAOYSA-N
XLogP8.86
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-[3-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158881865
6-[3-(8-phenyldibenzofuran-4-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508693
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-N,N-diphenylaniline;N-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 160751175

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134508747) is 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)nc(-n1c3ccccc3c3cc(-c4ccc(-c5ccncc5)cc4)ccc31)n1c3ccccc3nc21.
What is the InChIKey of 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is NWSRPVQNOHSVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5/c1-3-9-31-29(8-1)36-39-32-10-4-6-12-35(32)42(36)37(40-31)41-33-11-5-2-7-28(33)30-23-27(17-18-34(30)41)25-15-13-24(14-16-25)26-19-21-38-22-20-26/h1-23H.
What are the key properties of 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 537.63 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).