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

C45H28N2O — CID 177074698

IUPAC2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C45H28N2O/c1-2-8-31-25-32(14-13-29(31)7-1)33-15-16-35-27-36(18-17-34(35)26-33)37-21-24-43-40(28-37)39-9-3-5-11-42(39)47(43)38-22-19-30(20-23-38)45-46-41-10-4-6-12-44(41)48-45/h1-28H
InChIKeyDQJVZLRIBCHGGU-UHFFFAOYSA-N
MW612.73 g/mol
LogP12.23
Rot. Bonds4

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

2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole (PubChem CID 177074698) has the molecular formula C45H28N2O and a molecular weight of 612.73 g/mol. Its IUPAC name is 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
PubChem CID177074698
Molecular FormulaC45H28N2O
Molecular Weight612.73 g/mol
Exact Mass612.22
IUPAC Name2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C45H28N2O/c1-2-8-31-25-32(14-13-29(31)7-1)33-15-16-35-27-36(18-17-34(35)26-33)37-21-24-43-40(28-37)39-9-3-5-11-42(39)47(43)38-22-19-30(20-23-38)45-46-41-10-4-6-12-44(41)48-45/h1-28H
InChIKeyDQJVZLRIBCHGGU-UHFFFAOYSA-N
XLogP12.23
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661248
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole (CID 177074698) is 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole is c1ccc2cc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)ccc2c1.
What is the InChIKey of 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The InChIKey is DQJVZLRIBCHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O/c1-2-8-31-25-32(14-13-29(31)7-1)33-15-16-35-27-36(18-17-34(35)26-33)37-21-24-43-40(28-37)39-9-3-5-11-42(39)47(43)38-22-19-30(20-23-38)45-46-41-10-4-6-12-44(41)48-45/h1-28H.
What are the key properties of 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole has a molecular weight of 612.73 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 177074698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).