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

C43H26N4O — CID 171851966

IUPAC2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2ncc(-c3ccc4c(c3)c3cc(-c5cnc6ccccc6c5)ccc3n4-c3ccc(-c4nc5ccccc5o4)cc3)cc2c1
InChIInChI=1S/C43H26N4O/c1-3-9-37-30(7-1)21-32(25-44-37)28-15-19-40-35(23-28)36-24-29(33-22-31-8-2-4-10-38(31)45-26-33)16-20-41(36)47(40)34-17-13-27(14-18-34)43-46-39-11-5-6-12-42(39)48-43/h1-26H
InChIKeyGEWHUCJPPLNRDP-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

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

2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole (PubChem CID 171851966) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
PubChem CID171851966
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc2ncc(-c3ccc4c(c3)c3cc(-c5cnc6ccccc6c5)ccc3n4-c3ccc(-c4nc5ccccc5o4)cc3)cc2c1
InChIInChI=1S/C43H26N4O/c1-3-9-37-30(7-1)21-32(25-44-37)28-15-19-40-35(23-28)36-24-29(33-22-31-8-2-4-10-38(31)45-26-33)16-20-41(36)47(40)34-17-13-27(14-18-34)43-46-39-11-5-6-12-42(39)48-43/h1-26H
InChIKeyGEWHUCJPPLNRDP-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole
CID 171851975
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
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-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole (CID 171851966) is 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole is c1ccc2ncc(-c3ccc4c(c3)c3cc(-c5cnc6ccccc6c5)ccc3n4-c3ccc(-c4nc5ccccc5o4)cc3)cc2c1.
What is the InChIKey of 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
The InChIKey is GEWHUCJPPLNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-9-37-30(7-1)21-32(25-44-37)28-15-19-40-35(23-28)36-24-29(33-22-31-8-2-4-10-38(31)45-26-33)16-20-41(36)47(40)34-17-13-27(14-18-34)43-46-39-11-5-6-12-42(39)48-43/h1-26H.
What are the key properties of 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole?
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 171851966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).