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

C43H28N2O — CID 137473397

IUPAC2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc4nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)oc4c3)c2)cc1
InChIInChI=1S/C43H28N2O/c1-2-9-29(10-3-1)33-11-8-12-34(27-33)35-23-26-39-42(28-35)46-43(44-39)32-19-17-30(18-20-32)31-21-24-36(25-22-31)45-40-15-6-4-13-37(40)38-14-5-7-16-41(38)45/h1-28H
InChIKeyFPOJBCRCGAFZFL-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.59
Rot. Bonds5

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

2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole (PubChem CID 137473397) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
PubChem CID137473397
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc4nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)oc4c3)c2)cc1
InChIInChI=1S/C43H28N2O/c1-2-9-29(10-3-1)33-11-8-12-34(27-33)35-23-26-39-42(28-35)46-43(44-39)32-19-17-30(18-20-32)31-21-24-36(25-22-31)45-40-15-6-4-13-37(40)38-14-5-7-16-41(38)45/h1-28H
InChIKeyFPOJBCRCGAFZFL-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

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Related Compounds

2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681491
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
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
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-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole (CID 137473397) is 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole is c1ccc(-c2cccc(-c3ccc4nc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)oc4c3)c2)cc1.
What is the InChIKey of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole?
The InChIKey is FPOJBCRCGAFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-9-29(10-3-1)33-11-8-12-34(27-33)35-23-26-39-42(28-35)46-43(44-39)32-19-17-30(18-20-32)31-21-24-36(25-22-31)45-40-15-6-4-13-37(40)38-14-5-7-16-41(38)45/h1-28H.
What are the key properties of 2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole?
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-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-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 137473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).