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

C37H24N2O — CID 59228196

IUPAC2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5nc6ccccc6o5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C37H24N2O/c1-3-10-25(11-4-1)26-12-9-13-27(22-26)28-18-20-34-31(23-28)32-24-29(37-38-33-16-7-8-17-36(33)40-37)19-21-35(32)39(34)30-14-5-2-6-15-30/h1-24H
InChIKeyZZRYHTBTGBACHB-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.93
Rot. Bonds4

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

2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 59228196) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID59228196
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Name2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5nc6ccccc6o5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C37H24N2O/c1-3-10-25(11-4-1)26-12-9-13-27(22-26)28-18-20-34-31(23-28)32-24-29(37-38-33-16-7-8-17-36(33)40-37)19-21-35(32)39(34)30-14-5-2-6-15-30/h1-24H
InChIKeyZZRYHTBTGBACHB-UHFFFAOYSA-N
XLogP9.93
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 147387769
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
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
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-[6,9-bis(1,3-benzoxazol-2-yl)carbazol-3-yl]-6-(4-phenylphenyl)-1,3-benzoxazole
CID 155366238

Frequently Asked Questions

What is the IUPAC name of 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole (CID 59228196) is 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5nc6ccccc6o5)ccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is ZZRYHTBTGBACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c1-3-10-25(11-4-1)26-12-9-13-27(22-26)28-18-20-34-31(23-28)32-24-29(37-38-33-16-7-8-17-36(33)40-37)19-21-35(32)39(34)30-14-5-2-6-15-30/h1-24H.
What are the key properties of 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 512.61 g/mol, XLogP of 9.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 59228196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).