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

C55H36N2O — CID 59228285

IUPAC2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5-c5ccccc5-c5ccc(-c6nc7ccccc7o6)cc5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C55H36N2O/c1-3-14-37(15-4-1)40-16-13-17-41(34-40)42-30-32-52-49(35-42)50-36-43(31-33-53(50)57(52)44-18-5-2-6-19-44)46-21-8-10-23-48(46)47-22-9-7-20-45(47)38-26-28-39(29-27-38)55-56-51-24-11-12-25-54(51)58-55/h1-36H
InChIKeyGEWOJWNYMQEVAF-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.93
Rot. Bonds7

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

2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 59228285) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
PubChem CID59228285
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC Name2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5-c5ccccc5-c5ccc(-c6nc7ccccc7o6)cc5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C55H36N2O/c1-3-14-37(15-4-1)40-16-13-17-41(34-40)42-30-32-52-49(35-42)50-36-43(31-33-53(50)57(52)44-18-5-2-6-19-44)46-21-8-10-23-48(46)47-22-9-7-20-45(47)38-26-28-39(29-27-38)55-56-51-24-11-12-25-54(51)58-55/h1-36H
InChIKeyGEWOJWNYMQEVAF-UHFFFAOYSA-N
XLogP14.93
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
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
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
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole (CID 59228285) is 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccccc5-c5ccccc5-c5ccc(-c6nc7ccccc7o6)cc5)ccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is GEWOJWNYMQEVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-3-14-37(15-4-1)40-16-13-17-41(34-40)42-30-32-52-49(35-42)50-36-43(31-33-53(50)57(52)44-18-5-2-6-19-44)46-21-8-10-23-48(46)47-22-9-7-20-45(47)38-26-28-39(29-27-38)55-56-51-24-11-12-25-54(51)58-55/h1-36H.
What are the key properties of 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole?
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 740.91 g/mol, XLogP of 14.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).