2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole

C31H20N2O — CID 59228217

IUPAC2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)oc3c2)cc1
InChIInChI=1S/C31H20N2O/c1-2-8-21(9-3-1)23-16-19-27-30(20-23)34-31(32-27)22-14-17-24(18-15-22)33-28-12-6-4-10-25(28)26-11-5-7-13-29(26)33/h1-20H
InChIKeyYYSOVKADMMEOTH-UHFFFAOYSA-N
MW436.51 g/mol
LogP8.26
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole

2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole (PubChem CID 59228217) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
PubChem CID59228217
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)oc3c2)cc1
InChIInChI=1S/C31H20N2O/c1-2-8-21(9-3-1)23-16-19-27-30(20-23)34-31(32-27)22-14-17-24(18-15-22)33-28-12-6-4-10-25(28)26-11-5-7-13-29(26)33/h1-20H
InChIKeyYYSOVKADMMEOTH-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-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
6-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
CID 59228139
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681491
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
6-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 171756611
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59227964
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
5-[3-[3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzoxazol-2-yl]phenyl]carbazol-9-yl]-2-phenyl-1,3-benzoxazole
CID 168832535
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole (CID 59228217) is 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole is c1ccc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)oc3c2)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole?
The InChIKey is YYSOVKADMMEOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c1-2-8-21(9-3-1)23-16-19-27-30(20-23)34-31(32-27)22-14-17-24(18-15-22)33-28-12-6-4-10-25(28)26-11-5-7-13-29(26)33/h1-20H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole?
2-(4-carbazol-9-ylphenyl)-6-phenyl-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-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole is sourced from PubChem (CID 59228217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).