9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

C88H52F24N6O8 — CID 122546742

IUPAC9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESFC(F)(F)Oc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc2)cc1
InChIInChI=1S/C88H52F24N6O8/c89-81(90,91)119-65-25-5-53(6-26-65)115(54-7-27-66(28-8-54)120-82(92,93)94)61-21-41-77-73(45-61)74-46-62(116(55-9-29-67(30-10-55)121-83(95,96)97)56-11-31-68(32-12-56)122-84(98,99)100)22-42-78(74)113(77)49-51-1-2-52(4-3-51)50-114-79-43-23-63(117(57-13-33-69(34-14-57)123-85(101,102)103)58-15-35-70(36-16-58)124-86(104,105)106)47-75(79)76-48-64(24-44-80(76)114)118(59-17-37-71(38-18-59)125-87(107,108)109)60-19-39-72(40-20-60)126-88(110,111)112/h1-48H,49-50H2
InChIKeyFOAMGVJSSQIIJS-UHFFFAOYSA-N
MW1777.37 g/mol
LogP29.07
Rot. Bonds24

About 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (PubChem CID 122546742) has the molecular formula C88H52F24N6O8 and a molecular weight of 1777.37 g/mol. Its IUPAC name is 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
PubChem CID122546742
Molecular FormulaC88H52F24N6O8
Molecular Weight1777.37 g/mol
Exact Mass1776.35
IUPAC Name9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESFC(F)(F)Oc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc2)cc1
InChIInChI=1S/C88H52F24N6O8/c89-81(90,91)119-65-25-5-53(6-26-65)115(54-7-27-66(28-8-54)120-82(92,93)94)61-21-41-77-73(45-61)74-46-62(116(55-9-29-67(30-10-55)121-83(95,96)97)56-11-31-68(32-12-56)122-84(98,99)100)22-42-78(74)113(77)49-51-1-2-52(4-3-51)50-114-79-43-23-63(117(57-13-33-69(34-14-57)123-85(101,102)103)58-15-35-70(36-16-58)124-86(104,105)106)47-75(79)76-48-64(24-44-80(76)114)118(59-17-37-71(38-18-59)125-87(107,108)109)60-19-39-72(40-20-60)126-88(110,111)112/h1-48H,49-50H2
InChIKeyFOAMGVJSSQIIJS-UHFFFAOYSA-N
XLogP29.07
TPSA96.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.37
LogP ≤ 529.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbazol-9-yl-N-[2-[4-[2-[3-carbazol-9-ylpropyl(methyl)amino]ethyl]-2,5-dimethoxyphenyl]ethyl]-N-methylpropan-1-amine
CID 145956232
4-Carbazol-9-yl-N-[2-(4-methoxyphenyl)ethyl]-N-methyl (perfluorobutyl)amine
CID 17958503
1-Benzyl-6-[1-[[3-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851768
1-[(2-Fluorophenyl)methyl]-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
CID 56851798
N-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]-4-(trifluoromethoxy)aniline
CID 1893154
9-Benzyl-6-methoxy-2-(trifluoromethyl)carbazole
CID 86212202
3-[3,3,4,4,5,5-Hexafluoro-2-(5-methoxy-1,2-dimethylindol-3-yl)cyclopenten-1-yl]-5-methoxy-1,2-dimethylindole
CID 102531509
N,N,N',N'-Tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine
CID 118643164
9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 154717251
(2-{3,6-Bis[bis(4-methoxyphenyl)amino]-9h-carbazol-9-yl}ethyl)phosphonic acid
CID 157868134
1-[[4-(Trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851718
1-[[3-(Trifluoromethoxy)phenyl]methyl]-6-[1-[[3-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851724

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The IUPAC name of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (CID 122546742) is 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is FC(F)(F)Oc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc2)cc1.
What is the InChIKey of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The InChIKey is FOAMGVJSSQIIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52F24N6O8/c89-81(90,91)119-65-25-5-53(6-26-65)115(54-7-27-66(28-8-54)120-82(92,93)94)61-21-41-77-73(45-61)74-46-62(116(55-9-29-67(30-10-55)121-83(95,96)97)56-11-31-68(32-12-56)122-84(98,99)100)22-42-78(74)113(77)49-51-1-2-52(4-3-51)50-114-79-43-23-63(117(57-13-33-69(34-14-57)123-85(101,102)103)58-15-35-70(36-16-58)124-86(104,105)106)47-75(79)76-48-64(24-44-80(76)114)118(59-17-37-71(38-18-59)125-87(107,108)109)60-19-39-72(40-20-60)126-88(110,111)112/h1-48H,49-50H2.
What are the key properties of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine has a molecular weight of 1777.37 g/mol, XLogP of 29.07, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 122546742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).