2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole

C32H19N3O2 — CID 155366285

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1
InChIInChI=1S/C32H19N3O2/c1-2-8-22(9-3-1)35-27-16-14-20(31-33-25-10-4-6-12-29(25)36-31)18-23(27)24-19-21(15-17-28(24)35)32-34-26-11-5-7-13-30(26)37-32/h1-19H
InChIKeyBMXLDSGBJOELDU-UHFFFAOYSA-N
MW477.52 g/mol
LogP8.40
Rot. Bonds3

About 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole (PubChem CID 155366285) has the molecular formula C32H19N3O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
PubChem CID155366285
Molecular FormulaC32H19N3O2
Molecular Weight477.52 g/mol
Exact Mass477.15
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1
InChIInChI=1S/C32H19N3O2/c1-2-8-22(9-3-1)35-27-16-14-20(31-33-25-10-4-6-12-29(25)36-31)18-23(27)24-19-21(15-17-28(24)35)32-34-26-11-5-7-13-30(26)37-32/h1-19H
InChIKeyBMXLDSGBJOELDU-UHFFFAOYSA-N
XLogP8.40
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[6-(1,3-benzoxazol-2-yl)-9-[3-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366409
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
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
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-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole
CID 155366230

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole (CID 155366285) is 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole is c1ccc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole?
The InChIKey is BMXLDSGBJOELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3O2/c1-2-8-22(9-3-1)35-27-16-14-20(31-33-25-10-4-6-12-29(25)36-31)18-23(27)24-19-21(15-17-28(24)35)32-34-26-11-5-7-13-30(26)37-32/h1-19H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole has a molecular weight of 477.52 g/mol, XLogP of 8.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).