9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine

C51H36F3N3 — CID 158311741

IUPAC9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)c(-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)ccc2C)c1
InChIInChI=1S/C51H36F3N3/c1-33-21-27-49-44(29-33)40-17-9-11-19-47(40)57(49)39-24-26-46(51(52,53)54)43(31-39)42-30-38(23-22-34(42)2)56-48-20-12-10-18-41(48)45-32-37(25-28-50(45)56)55(35-13-5-3-6-14-35)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeyDIZWNVVUTCQNKS-UHFFFAOYSA-N
MW747.86 g/mol
LogP14.65
Rot. Bonds6

About 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine

9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 158311741) has the molecular formula C51H36F3N3 and a molecular weight of 747.86 g/mol. Its IUPAC name is 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID158311741
Molecular FormulaC51H36F3N3
Molecular Weight747.86 g/mol
Exact Mass747.29
IUPAC Name9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)c(-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)ccc2C)c1
InChIInChI=1S/C51H36F3N3/c1-33-21-27-49-44(29-33)40-17-9-11-19-47(40)57(49)39-24-26-46(51(52,53)54)43(31-39)42-30-38(23-22-34(42)2)56-48-20-12-10-18-41(48)45-32-37(25-28-50(45)56)55(35-13-5-3-6-14-35)36-15-7-4-8-16-36/h3-32H,1-2H3
InChIKeyDIZWNVVUTCQNKS-UHFFFAOYSA-N
XLogP14.65
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.86
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
CID 161037605
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[4-isocyano-2-[3-methyl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine
CID 162139893
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59760508
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 90071614
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 158311741) is 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)c(-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)ccc2C)c1.
What is the InChIKey of 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is DIZWNVVUTCQNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36F3N3/c1-33-21-27-49-44(29-33)40-17-9-11-19-47(40)57(49)39-24-26-46(51(52,53)54)43(31-39)42-30-38(23-22-34(42)2)56-48-20-12-10-18-41(48)45-32-37(25-28-50(45)56)55(35-13-5-3-6-14-35)36-15-7-4-8-16-36/h3-32H,1-2H3.
What are the key properties of 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 747.86 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 158311741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).