3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole

C56H35N5 — CID 118133212

IUPAC3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C56H35N5/c1-3-15-39(16-4-1)59-49-24-12-8-19-41(49)45-33-36(27-30-52(45)59)37-28-31-54-46(34-37)43-21-10-14-26-51(43)61(54)56-57-48-23-11-7-22-44(48)55(58-56)38-29-32-53-47(35-38)42-20-9-13-25-50(42)60(53)40-17-5-2-6-18-40/h1-35H
InChIKeyNXZRXIFYLDOFIC-UHFFFAOYSA-N
MW777.93 g/mol
LogP14.26
Rot. Bonds5

About 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole (PubChem CID 118133212) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
PubChem CID118133212
Molecular FormulaC56H35N5
Molecular Weight777.93 g/mol
Exact Mass777.29
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C56H35N5/c1-3-15-39(16-4-1)59-49-24-12-8-19-41(49)45-33-36(27-30-52(45)59)37-28-31-54-46(34-37)43-21-10-14-26-51(43)61(54)56-57-48-23-11-7-22-44(48)55(58-56)38-29-32-53-47(35-38)42-20-9-13-25-50(42)60(53)40-17-5-2-6-18-40/h1-35H
InChIKeyNXZRXIFYLDOFIC-UHFFFAOYSA-N
XLogP14.26
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole 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

3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
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
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
12-[4-(9-phenylcarbazol-3-yl)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 71109102
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
[9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-3-yl]boronic acid
CID 145381468
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole (CID 118133212) is 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole?
The InChIKey is NXZRXIFYLDOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-3-15-39(16-4-1)59-49-24-12-8-19-41(49)45-33-36(27-30-52(45)59)37-28-31-54-46(34-37)43-21-10-14-26-51(43)61(54)56-57-48-23-11-7-22-44(48)55(58-56)38-29-32-53-47(35-38)42-20-9-13-25-50(42)60(53)40-17-5-2-6-18-40/h1-35H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole has a molecular weight of 777.93 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 118133212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).