9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine

C46H32F6N2 — CID 130354134

IUPAC9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)cc1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C46H32F6N2/c1-29-24-44(30(2)23-40(29)32-19-17-31(18-20-32)33-25-34(45(47,48)49)27-35(26-33)46(50,51)52)54-42-16-10-9-15-39(42)41-28-38(21-22-43(41)54)53(36-11-5-3-6-12-36)37-13-7-4-8-14-37/h3-28H,1-2H3
InChIKeySXGHCLKTYGXVOC-UHFFFAOYSA-N
MW726.76 g/mol
LogP14.24
Rot. Bonds6

About 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine

9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 130354134) has the molecular formula C46H32F6N2 and a molecular weight of 726.76 g/mol. Its IUPAC name is 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID130354134
Molecular FormulaC46H32F6N2
Molecular Weight726.76 g/mol
Exact Mass726.25
IUPAC Name9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)cc1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C46H32F6N2/c1-29-24-44(30(2)23-40(29)32-19-17-31(18-20-32)33-25-34(45(47,48)49)27-35(26-33)46(50,51)52)54-42-16-10-9-15-39(42)41-28-38(21-22-43(41)54)53(36-11-5-3-6-12-36)37-13-7-4-8-14-37/h3-28H,1-2H3
InChIKeySXGHCLKTYGXVOC-UHFFFAOYSA-N
XLogP14.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.76
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 159761391
4-[9-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 130353117
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630120
9-[2,5-dimethyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130353429
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine (CID 130354134) is 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine is Cc1cc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)cc1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is SXGHCLKTYGXVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F6N2/c1-29-24-44(30(2)23-40(29)32-19-17-31(18-20-32)33-25-34(45(47,48)49)27-35(26-33)46(50,51)52)54-42-16-10-9-15-39(42)41-28-38(21-22-43(41)54)53(36-11-5-3-6-12-36)37-13-7-4-8-14-37/h3-28H,1-2H3.
What are the key properties of 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 726.76 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 130354134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).