9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole

C46H34F3N3 — CID 155216770

IUPAC9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(-c5ccccc5)n4)c(C(F)(F)F)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/C46H34F3N3/c1-27-13-17-32-33-18-14-28(2)22-41(33)51(40(32)21-27)44-25-36(39-12-8-11-38(50-39)31-9-6-5-7-10-31)37(46(47,48)49)26-45(44)52-42-23-29(3)15-19-34(42)35-20-16-30(4)24-43(35)52/h5-26H,1-4H3
InChIKeyMKUBWXMNKLZAJG-UHFFFAOYSA-N
MW685.79 g/mol
LogP12.86
Rot. Bonds4

About 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole

9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole (PubChem CID 155216770) has the molecular formula C46H34F3N3 and a molecular weight of 685.79 g/mol. Its IUPAC name is 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
PubChem CID155216770
Molecular FormulaC46H34F3N3
Molecular Weight685.79 g/mol
Exact Mass685.27
IUPAC Name9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(-c5ccccc5)n4)c(C(F)(F)F)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1
InChIInChI=1S/C46H34F3N3/c1-27-13-17-32-33-18-14-28(2)22-41(33)51(40(32)21-27)44-25-36(39-12-8-11-38(50-39)31-9-6-5-7-10-31)37(46(47,48)49)26-45(44)52-42-23-29(3)15-19-34(42)35-20-16-30(4)24-43(35)52/h5-26H,1-4H3
InChIKeyMKUBWXMNKLZAJG-UHFFFAOYSA-N
XLogP12.86
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.79
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216454
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978
4,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147090698
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 155216680
3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728
4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147088605
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610922
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
2,7-di(cyclohexa-2,4-dien-1-ylidene)-9-[4-(2,7-diphenylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]carbazole
CID 171927494
4,5-bis(2,7-dimethylcarbazol-9-yl)-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162610904

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole?
The IUPAC name of 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole (CID 155216770) is 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole.
What is the SMILES notation for 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole?
The canonical SMILES for 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(-c5ccccc5)n4)c(C(F)(F)F)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1.
What is the InChIKey of 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole?
The InChIKey is MKUBWXMNKLZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34F3N3/c1-27-13-17-32-33-18-14-28(2)22-41(33)51(40(32)21-27)44-25-36(39-12-8-11-38(50-39)31-9-6-5-7-10-31)37(46(47,48)49)26-45(44)52-42-23-29(3)15-19-34(42)35-20-16-30(4)24-43(35)52/h5-26H,1-4H3.
What are the key properties of 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole?
9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole has a molecular weight of 685.79 g/mol, XLogP of 12.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole is sourced from PubChem (CID 155216770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).