3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole

C63H43F12N — CID 170283658

IUPAC3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
SMILESCc1cc(C)cc(-c2cc(-c3cc(C)cc(C(F)(F)F)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C)cc(C(F)(F)F)c6)cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)ccc3n4-c3ccccc3C)c2)c1
InChIInChI=1S/C63H43F12N/c1-34-14-35(2)16-41(15-34)46-21-44(22-47(25-46)42-17-36(3)19-51(27-42)60(64,65)66)39-10-12-58-55(31-39)56-32-40(11-13-59(56)76(58)57-9-7-6-8-38(57)5)45-23-48(43-18-37(4)20-52(28-43)61(67,68)69)26-49(24-45)50-29-53(62(70,71)72)33-54(30-50)63(73,74)75/h6-33H,1-5H3
InChIKeyHJLVQSBSFFFNJY-UHFFFAOYSA-N
MW1042.02 g/mol
LogP20.40
Rot. Bonds7

About 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole

3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole (PubChem CID 170283658) has the molecular formula C63H43F12N and a molecular weight of 1042.02 g/mol. Its IUPAC name is 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
PubChem CID170283658
Molecular FormulaC63H43F12N
Molecular Weight1042.02 g/mol
Exact Mass1041.32
IUPAC Name3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
SMILESCc1cc(C)cc(-c2cc(-c3cc(C)cc(C(F)(F)F)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C)cc(C(F)(F)F)c6)cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)ccc3n4-c3ccccc3C)c2)c1
InChIInChI=1S/C63H43F12N/c1-34-14-35(2)16-41(15-34)46-21-44(22-47(25-46)42-17-36(3)19-51(27-42)60(64,65)66)39-10-12-58-55(31-39)56-32-40(11-13-59(56)76(58)57-9-7-6-8-38(57)5)45-23-48(43-18-37(4)20-52(28-43)61(67,68)69)26-49(24-45)50-29-53(62(70,71)72)33-54(30-50)63(73,74)75/h6-33H,1-5H3
InChIKeyHJLVQSBSFFFNJY-UHFFFAOYSA-N
XLogP20.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.02
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole with MolForge

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Related Compounds

9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283564
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 134300530
9-[2-[3-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 163837931
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 159969988
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520
2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
CID 157300764
2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295734
2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295725

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole?
The IUPAC name of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole (CID 170283658) is 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole.
What is the SMILES notation for 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole?
The canonical SMILES for 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole is Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C(F)(F)F)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C)cc(C(F)(F)F)c6)cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)ccc3n4-c3ccccc3C)c2)c1.
What is the InChIKey of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole?
The InChIKey is HJLVQSBSFFFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43F12N/c1-34-14-35(2)16-41(15-34)46-21-44(22-47(25-46)42-17-36(3)19-51(27-42)60(64,65)66)39-10-12-58-55(31-39)56-32-40(11-13-59(56)76(58)57-9-7-6-8-38(57)5)45-23-48(43-18-37(4)20-52(28-43)61(67,68)69)26-49(24-45)50-29-53(62(70,71)72)33-54(30-50)63(73,74)75/h6-33H,1-5H3.
What are the key properties of 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole?
3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole has a molecular weight of 1042.02 g/mol, XLogP of 20.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole is sourced from PubChem (CID 170283658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).