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

C42H30F6N2 — CID 159679728

IUPAC9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3cc(C(F)(F)F)c(-n4c5cc(C)ccc5c5ccc(C)cc54)cc3-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C42H30F6N2/c1-23-9-13-28-29-14-10-24(2)18-36(29)49(35(28)17-23)39-22-34(42(46,47)48)40(21-32(39)27-7-5-6-8-33(27)41(43,44)45)50-37-19-25(3)11-15-30(37)31-16-12-26(4)20-38(31)50/h5-22H,1-4H3
InChIKeyTYTYOZSLAIWPSO-UHFFFAOYSA-N
MW676.70 g/mol
LogP12.82
Rot. Bonds3

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

9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole (PubChem CID 159679728) has the molecular formula C42H30F6N2 and a molecular weight of 676.70 g/mol. Its IUPAC name is 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
PubChem CID159679728
Molecular FormulaC42H30F6N2
Molecular Weight676.70 g/mol
Exact Mass676.23
IUPAC Name9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3cc(C(F)(F)F)c(-n4c5cc(C)ccc5c5ccc(C)cc54)cc3-c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C42H30F6N2/c1-23-9-13-28-29-14-10-24(2)18-36(29)49(35(28)17-23)39-22-34(42(46,47)48)40(21-32(39)27-7-5-6-8-33(27)41(43,44)45)50-37-19-25(3)11-15-30(37)31-16-12-26(4)20-38(31)50/h5-22H,1-4H3
InChIKeyTYTYOZSLAIWPSO-UHFFFAOYSA-N
XLogP12.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.70
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760
2,5-bis(2-methylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-methyl-9-[4-(2-methylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 161271850
2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159646569
4,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386514
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157403628
9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
CID 155216770
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386429

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?
The IUPAC name of 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole (CID 159679728) is 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole.
What is the SMILES notation for 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?
The canonical SMILES for 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-c3cc(C(F)(F)F)c(-n4c5cc(C)ccc5c5ccc(C)cc54)cc3-c3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?
The InChIKey is TYTYOZSLAIWPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2/c1-23-9-13-28-29-14-10-24(2)18-36(29)49(35(28)17-23)39-22-34(42(46,47)48)40(21-32(39)27-7-5-6-8-33(27)41(43,44)45)50-37-19-25(3)11-15-30(37)31-16-12-26(4)20-38(31)50/h5-22H,1-4H3.
What are the key properties of 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole?
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole has a molecular weight of 676.70 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole is sourced from PubChem (CID 159679728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).