9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

C50H33N5 — CID 134509065

IUPAC9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c4)cc3)cc2)cc1
InChIInChI=1S/C50H33N5/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-27-29-39(30-28-37)53(38-15-5-2-6-16-38)40-31-32-42-41-17-8-11-21-46(41)54(48(42)33-40)50-52-44-19-9-7-18-43(44)49-51-45-20-10-12-22-47(45)55(49)50/h1-33H
InChIKeyQZUVOETXNSPLJN-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.94
Rot. Bonds6

About 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 134509065) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID134509065
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c4)cc3)cc2)cc1
InChIInChI=1S/C50H33N5/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-27-29-39(30-28-37)53(38-15-5-2-6-16-38)40-31-32-42-41-17-8-11-21-46(41)54(48(42)33-40)50-52-44-19-9-7-18-43(44)49-51-45-20-10-12-22-47(45)55(49)50/h1-33H
InChIKeyQZUVOETXNSPLJN-UHFFFAOYSA-N
XLogP12.94
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 134509037
5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine
CID 162169497
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181
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-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
N,N-bis(4-phenylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaen-13-amine
CID 71229621
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650

Frequently Asked Questions

What is the IUPAC name of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 134509065) is 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c4)cc3)cc2)cc1.
What is the InChIKey of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is QZUVOETXNSPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-27-29-39(30-28-37)53(38-15-5-2-6-16-38)40-31-32-42-41-17-8-11-21-46(41)54(48(42)33-40)50-52-44-19-9-7-18-43(44)49-51-45-20-10-12-22-47(45)55(49)50/h1-33H.
What are the key properties of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 703.85 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 134509065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).