9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole

C50H36N2O — CID 59358185

IUPAC9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H36N2O/c1-33-28-44(35-14-4-3-5-15-35)50(53-2)45(29-33)36-26-24-34(25-27-36)37-30-38(51-46-20-10-6-16-40(46)41-17-7-11-21-47(41)51)32-39(31-37)52-48-22-12-8-18-42(48)43-19-9-13-23-49(43)52/h3-32H,1-2H3
InChIKeyURFCGOVGGYYRDG-UHFFFAOYSA-N
MW680.85 g/mol
LogP13.20
Rot. Bonds6

About 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 59358185) has the molecular formula C50H36N2O and a molecular weight of 680.85 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
PubChem CID59358185
Molecular FormulaC50H36N2O
Molecular Weight680.85 g/mol
Exact Mass680.28
IUPAC Name9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H36N2O/c1-33-28-44(35-14-4-3-5-15-35)50(53-2)45(29-33)36-26-24-34(25-27-36)37-30-38(51-46-20-10-6-16-40(46)41-17-7-11-21-47(41)51)32-39(31-37)52-48-22-12-8-18-42(48)43-19-9-13-23-49(43)52/h3-32H,1-2H3
InChIKeyURFCGOVGGYYRDG-UHFFFAOYSA-N
XLogP13.20
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole (CID 59358185) is 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole is COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole?
The InChIKey is URFCGOVGGYYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O/c1-33-28-44(35-14-4-3-5-15-35)50(53-2)45(29-33)36-26-24-34(25-27-36)37-30-38(51-46-20-10-6-16-40(46)41-17-7-11-21-47(41)51)32-39(31-37)52-48-22-12-8-18-42(48)43-19-9-13-23-49(43)52/h3-32H,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole has a molecular weight of 680.85 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 59358185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).