9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole

C40H28N2O — CID 146334012

IUPAC9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole
SMILESCOc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C40H28N2O/c1-43-40-25-28(42-38-21-11-8-18-32(38)33-19-9-12-22-39(33)42)23-24-34(40)29-15-5-6-16-30(29)37-26-35(27-13-3-2-4-14-27)31-17-7-10-20-36(31)41-37/h2-26H,1H3
InChIKeyCPWVTFFZYYVPKD-UHFFFAOYSA-N
MW552.68 g/mol
LogP10.34
Rot. Bonds5

About 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole

9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole (PubChem CID 146334012) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole
PubChem CID146334012
Molecular FormulaC40H28N2O
Molecular Weight552.68 g/mol
Exact Mass552.22
IUPAC Name9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole
SMILESCOc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C40H28N2O/c1-43-40-25-28(42-38-21-11-8-18-32(38)33-19-9-12-22-39(33)42)23-24-34(40)29-15-5-6-16-30(29)37-26-35(27-13-3-2-4-14-27)31-17-7-10-20-36(31)41-37/h2-26H,1H3
InChIKeyCPWVTFFZYYVPKD-UHFFFAOYSA-N
XLogP10.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
2-[4-(2-bromophenyl)-3-methoxyphenyl]-4-phenylquinoline
CID 139429569
9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
CID 59702533
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
CID 59702564
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
CID 138568989
3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334035
9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole
CID 154938716
9-[4-(4-phenylquinolin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225578
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263

Frequently Asked Questions

What is the IUPAC name of 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole (CID 146334012) is 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole is COc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is CPWVTFFZYYVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-43-40-25-28(42-38-21-11-8-18-32(38)33-19-9-12-22-39(33)42)23-24-34(40)29-15-5-6-16-30(29)37-26-35(27-13-3-2-4-14-27)31-17-7-10-20-36(31)41-37/h2-26H,1H3.
What are the key properties of 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole?
9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 552.68 g/mol, XLogP of 10.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methoxy-4-[2-(4-phenylquinolin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 146334012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).