6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C50H31N5 — CID 134509097

IUPAC6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)c4)cc32)cc1
InChIInChI=1S/C50H31N5/c1-2-15-36(16-3-1)53-44-22-9-5-17-37(44)39-27-25-34(30-47(39)53)32-13-12-14-33(29-32)35-26-28-40-38-18-6-10-23-45(38)54(48(40)31-35)50-52-42-20-7-4-19-41(42)49-51-43-21-8-11-24-46(43)55(49)50/h1-31H
InChIKeyITIAGNLJJDHGQY-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.56
Rot. Bonds4

About 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134509097) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134509097
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)c4)cc32)cc1
InChIInChI=1S/C50H31N5/c1-2-15-36(16-3-1)53-44-22-9-5-17-37(44)39-27-25-34(30-47(39)53)32-13-12-14-33(29-32)35-26-28-40-38-18-6-10-23-45(38)54(48(40)31-35)50-52-42-20-7-4-19-41(42)49-51-43-21-8-11-24-46(43)55(49)50/h1-31H
InChIKeyITIAGNLJJDHGQY-UHFFFAOYSA-N
XLogP12.56
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
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-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
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
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-[10-[3,5-di(carbazol-9-yl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-[9-(4-phenylphenyl)carbazol-2-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 160944711
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
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137
4-(9-phenylcarbazol-3-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
CID 149202227

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134509097) is 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc6c7ccccc7n(-c7nc8ccccc8c8nc9ccccc9n78)c6c5)c4)cc32)cc1.
What is the InChIKey of 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is ITIAGNLJJDHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-2-15-36(16-3-1)53-44-22-9-5-17-37(44)39-27-25-34(30-47(39)53)32-13-12-14-33(29-32)35-26-28-40-38-18-6-10-23-45(38)54(48(40)31-35)50-52-42-20-7-4-19-41(42)49-51-43-21-8-11-24-46(43)55(49)50/h1-31H.
What are the key properties of 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 701.83 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).