2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole

C43H28N2O — CID 59228242

IUPAC2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H28N2O/c1-3-11-30(12-4-1)35-15-7-8-16-36(35)33-24-26-41-38(28-33)37-27-32(23-25-40(37)45(41)34-13-5-2-6-14-34)29-19-21-31(22-20-29)43-44-39-17-9-10-18-42(39)46-43/h1-28H
InChIKeyFOAORBOQZIOAGQ-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.59
Rot. Bonds5

About 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole

2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 59228242) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
PubChem CID59228242
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C43H28N2O/c1-3-11-30(12-4-1)35-15-7-8-16-36(35)33-24-26-41-38(28-33)37-27-32(23-25-40(37)45(41)34-13-5-2-6-14-34)29-19-21-31(22-20-29)43-44-39-17-9-10-18-42(39)46-43/h1-28H
InChIKeyFOAORBOQZIOAGQ-UHFFFAOYSA-N
XLogP11.59
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole 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

2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;9-(4-methylphenyl)-3,6-bis[2-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 162206431
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
6-[3-[6-[2-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-2-[3-[9-(4-methylphenyl)-6-phenylcarbazol-3-yl]phenyl]-1,3-benzoxazole
CID 134331855
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole (CID 59228242) is 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is FOAORBOQZIOAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-3-11-30(12-4-1)35-15-7-8-16-36(35)33-24-26-41-38(28-33)37-27-32(23-25-40(37)45(41)34-13-5-2-6-14-34)29-19-21-31(22-20-29)43-44-39-17-9-10-18-42(39)46-43/h1-28H.
What are the key properties of 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole has a molecular weight of 588.71 g/mol, XLogP of 11.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).