N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline

C60H40F6N4 — CID 89368375

IUPACN-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline
SMILESC=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)cc2)cc1
InChIInChI=1S/C60H40F6N4/c1-4-38-11-28-56-50(33-38)47-7-5-6-8-53(47)68(56)44-20-14-41(15-21-44)67(42-16-22-45(23-17-42)69-54-26-9-36(2)31-48(54)49-32-37(3)10-27-55(49)69)43-18-24-46(25-19-43)70-57-29-12-39(59(61,62)63)34-51(57)52-35-40(60(64,65)66)13-30-58(52)70/h4-35H,1H2,2-3H3
InChIKeyVGIHWVAGVSQNHT-UHFFFAOYSA-N
MW931.00 g/mol
LogP17.75
Rot. Bonds7

About N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline

N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline (PubChem CID 89368375) has the molecular formula C60H40F6N4 and a molecular weight of 931.00 g/mol. Its IUPAC name is N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline
PubChem CID89368375
Molecular FormulaC60H40F6N4
Molecular Weight931.00 g/mol
Exact Mass930.32
IUPAC NameN-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline
SMILESC=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)cc2)cc1
InChIInChI=1S/C60H40F6N4/c1-4-38-11-28-56-50(33-38)47-7-5-6-8-53(47)68(56)44-20-14-41(15-21-44)67(42-16-22-45(23-17-42)69-54-26-9-36(2)31-48(54)49-32-37(3)10-27-55(49)69)43-18-24-46(25-19-43)70-57-29-12-39(59(61,62)63)34-51(57)52-35-40(60(64,65)66)13-30-58(52)70/h4-35H,1H2,2-3H3
InChIKeyVGIHWVAGVSQNHT-UHFFFAOYSA-N
XLogP17.75
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.00
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166763972
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole
CID 58939504
4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 176734791
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-[4-[4-(3-methylcarbazol-9-yl)phenyl]phenyl]aniline;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-methylcarbazole
CID 123521263
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159264899
1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 163786005

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline?
The IUPAC name of N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline (CID 89368375) is N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline.
What is the SMILES notation for N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline?
The canonical SMILES for N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline is C=Cc1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)c2ccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)cc2)cc1.
What is the InChIKey of N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline?
The InChIKey is VGIHWVAGVSQNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40F6N4/c1-4-38-11-28-56-50(33-38)47-7-5-6-8-53(47)68(56)44-20-14-41(15-21-44)67(42-16-22-45(23-17-42)69-54-26-9-36(2)31-48(54)49-32-37(3)10-27-55(49)69)43-18-24-46(25-19-43)70-57-29-12-39(59(61,62)63)34-51(57)52-35-40(60(64,65)66)13-30-58(52)70/h4-35H,1H2,2-3H3.
What are the key properties of N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline?
N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline has a molecular weight of 931.00 g/mol, XLogP of 17.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline is sourced from PubChem (CID 89368375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).