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

C31H20N2O — CID 59228212

IUPAC2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1
InChIInChI=1S/C31H20N2O/c1-2-8-21(9-3-1)22-14-17-24(18-15-22)33-28-12-6-4-10-25(28)26-20-23(16-19-29(26)33)31-32-27-11-5-7-13-30(27)34-31/h1-20H
InChIKeyFWYYWCBYZMZWSX-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.26
Rot. Bonds3

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

2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 59228212) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID59228212
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1
InChIInChI=1S/C31H20N2O/c1-2-8-21(9-3-1)22-14-17-24(18-15-22)33-28-12-6-4-10-25(28)26-20-23(16-19-29(26)33)31-32-27-11-5-7-13-30(27)34-31/h1-20H
InChIKeyFWYYWCBYZMZWSX-UHFFFAOYSA-N
XLogP8.26
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
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-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
2-[9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661257
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole (CID 59228212) is 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc6ccccc6o5)ccc43)cc2)cc1.
What is the InChIKey of 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is FWYYWCBYZMZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c1-2-8-21(9-3-1)22-14-17-24(18-15-22)33-28-12-6-4-10-25(28)26-20-23(16-19-29(26)33)31-32-27-11-5-7-13-30(27)34-31/h1-20H.
What are the key properties of 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole?
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 436.51 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 59228212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).