2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole

C44H30F3N3 — CID 155216454

IUPAC2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)cc(-n4c5ccccc5c5ccc(C)cc54)c3-c3cccc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C44H30F3N3/c1-27-19-21-33-31-13-6-8-17-37(31)49(39(33)23-27)41-25-30(44(45,46)47)26-42(43(41)36-16-10-15-35(48-36)29-11-4-3-5-12-29)50-38-18-9-7-14-32(38)34-22-20-28(2)24-40(34)50/h3-26H,1-2H3
InChIKeyKWXIIYXKBYGNAA-UHFFFAOYSA-N
MW657.74 g/mol
LogP12.25
Rot. Bonds4

About 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole

2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 155216454) has the molecular formula C44H30F3N3 and a molecular weight of 657.74 g/mol. Its IUPAC name is 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
PubChem CID155216454
Molecular FormulaC44H30F3N3
Molecular Weight657.74 g/mol
Exact Mass657.24
IUPAC Name2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
SMILESCc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)cc(-n4c5ccccc5c5ccc(C)cc54)c3-c3cccc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C44H30F3N3/c1-27-19-21-33-31-13-6-8-17-37(31)49(39(33)23-27)41-25-30(44(45,46)47)26-42(43(41)36-16-10-15-35(48-36)29-11-4-3-5-12-29)50-38-18-9-7-14-32(38)34-22-20-28(2)24-40(34)50/h3-26H,1-2H3
InChIKeyKWXIIYXKBYGNAA-UHFFFAOYSA-N
XLogP12.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.74
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216705
3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole
CID 155216786
5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155216668
9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
CID 155216770
3-[2,6-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238069
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole
CID 162571765
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158163646
9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(3,5-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;sulfane
CID 158090370
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole (CID 155216454) is 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole is Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)cc(-n4c5ccccc5c5ccc(C)cc54)c3-c3cccc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is KWXIIYXKBYGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F3N3/c1-27-19-21-33-31-13-6-8-17-37(31)49(39(33)23-27)41-25-30(44(45,46)47)26-42(43(41)36-16-10-15-35(48-36)29-11-4-3-5-12-29)50-38-18-9-7-14-32(38)34-22-20-28(2)24-40(34)50/h3-26H,1-2H3.
What are the key properties of 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole?
2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 657.74 g/mol, XLogP of 12.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 155216454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).