4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline

C57H39F3N4 — CID 138984975

IUPAC4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline
SMILESCc1ccc2c3ccccc3n(-c3ccc(N(c4ccc(-n5c6ccccc6c6cc(C(F)(F)F)ccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4C)cc3)c2c1
InChIInChI=1S/C57H39F3N4/c1-36-19-30-48-46-13-5-7-15-51(46)63(56(48)33-36)42-27-23-40(24-28-42)61(50-32-29-43(34-37(50)2)64-52-16-8-3-11-44(52)45-12-4-9-17-53(45)64)39-21-25-41(26-22-39)62-54-18-10-6-14-47(54)49-35-38(57(58,59)60)20-31-55(49)62/h3-35H,1-2H3
InChIKeyMSWFTCLWVFXMKV-UHFFFAOYSA-N
MW836.96 g/mol
LogP16.08
Rot. Bonds6

About 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline

4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline (PubChem CID 138984975) has the molecular formula C57H39F3N4 and a molecular weight of 836.96 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound Name4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline
PubChem CID138984975
Molecular FormulaC57H39F3N4
Molecular Weight836.96 g/mol
Exact Mass836.31
IUPAC Name4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline
SMILESCc1ccc2c3ccccc3n(-c3ccc(N(c4ccc(-n5c6ccccc6c6cc(C(F)(F)F)ccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4C)cc3)c2c1
InChIInChI=1S/C57H39F3N4/c1-36-19-30-48-46-13-5-7-15-51(46)63(56(48)33-36)42-27-23-40(24-28-42)61(50-32-29-43(34-37(50)2)64-52-16-8-3-11-44(52)45-12-4-9-17-53(45)64)39-21-25-41(26-22-39)62-54-18-10-6-14-47(54)49-35-38(57(58,59)60)20-31-55(49)62/h3-35H,1-2H3
InChIKeyMSWFTCLWVFXMKV-UHFFFAOYSA-N
XLogP16.08
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.96
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dextranase
CID 167312536
9-[[4-(1,2,3,4-Tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
CID 71578978
9-(4-Methylphenyl)-2-phenylcarbazole
CID 72708123
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
9,3':6',9''-Ter-9H-carbazole
CID 12103890
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
N-((1,1'-biphenyl)-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine
CID 57746495
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline?
The IUPAC name of 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline (CID 138984975) is 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline.
What is the SMILES notation for 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline?
The canonical SMILES for 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline is Cc1ccc2c3ccccc3n(-c3ccc(N(c4ccc(-n5c6ccccc6c6cc(C(F)(F)F)ccc65)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4C)cc3)c2c1.
What is the InChIKey of 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline?
The InChIKey is MSWFTCLWVFXMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39F3N4/c1-36-19-30-48-46-13-5-7-15-51(46)63(56(48)33-36)42-27-23-40(24-28-42)61(50-32-29-43(34-37(50)2)64-52-16-8-3-11-44(52)45-12-4-9-17-53(45)64)39-21-25-41(26-22-39)62-54-18-10-6-14-47(54)49-35-38(57(58,59)60)20-31-55(49)62/h3-35H,1-2H3.
What are the key properties of 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline?
4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline has a molecular weight of 836.96 g/mol, XLogP of 16.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-methyl-N-[4-(2-methylcarbazol-9-yl)phenyl]-N-[4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 138984975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).