2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile

C98H41F36N5 — CID 163661742

IUPAC2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2cc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2)c1
InChIInChI=1S/C98H41F36N5/c99-87(100,101)58-16-51(17-59(36-58)88(102,103)104)45-2-9-79-71(28-45)72-29-46(52-18-60(89(105,106)107)37-61(19-52)90(108,109)110)3-10-80(72)137(79)78-8-1-44(42-135)15-70(78)57-34-85(138-81-11-4-47(53-20-62(91(111,112)113)38-63(21-53)92(114,115)116)30-73(81)74-31-48(5-12-82(74)138)54-22-64(93(117,118)119)39-65(23-54)94(120,121)122)77(43-136)86(35-57)139-83-13-6-49(55-24-66(95(123,124)125)40-67(25-55)96(126,127)128)32-75(83)76-33-50(7-14-84(76)139)56-26-68(97(129,130)131)41-69(27-56)98(132,133)134/h1-41H
InChIKeyIVADNSNDAHEIEC-UHFFFAOYSA-N
MW1972.37 g/mol
LogP34.62
Rot. Bonds10

About 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile

2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile (PubChem CID 163661742) has the molecular formula C98H41F36N5 and a molecular weight of 1972.37 g/mol. Its IUPAC name is 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
PubChem CID163661742
Molecular FormulaC98H41F36N5
Molecular Weight1972.37 g/mol
Exact Mass1971.28
IUPAC Name2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2cc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2)c1
InChIInChI=1S/C98H41F36N5/c99-87(100,101)58-16-51(17-59(36-58)88(102,103)104)45-2-9-79-71(28-45)72-29-46(52-18-60(89(105,106)107)37-61(19-52)90(108,109)110)3-10-80(72)137(79)78-8-1-44(42-135)15-70(78)57-34-85(138-81-11-4-47(53-20-62(91(111,112)113)38-63(21-53)92(114,115)116)30-73(81)74-31-48(5-12-82(74)138)54-22-64(93(117,118)119)39-65(23-54)94(120,121)122)77(43-136)86(35-57)139-83-13-6-49(55-24-66(95(123,124)125)40-67(25-55)96(126,127)128)32-75(83)76-33-50(7-14-84(76)139)56-26-68(97(129,130)131)41-69(27-56)98(132,133)134/h1-41H
InChIKeyIVADNSNDAHEIEC-UHFFFAOYSA-N
XLogP34.62
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001972.37
LogP ≤ 534.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile (CID 163661742) is 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-c2cc(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c(C#N)c(-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2)c1.
What is the InChIKey of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
The InChIKey is IVADNSNDAHEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H41F36N5/c99-87(100,101)58-16-51(17-59(36-58)88(102,103)104)45-2-9-79-71(28-45)72-29-46(52-18-60(89(105,106)107)37-61(19-52)90(108,109)110)3-10-80(72)137(79)78-8-1-44(42-135)15-70(78)57-34-85(138-81-11-4-47(53-20-62(91(111,112)113)38-63(21-53)92(114,115)116)30-73(81)74-31-48(5-12-82(74)138)54-22-64(93(117,118)119)39-65(23-54)94(120,121)122)77(43-136)86(35-57)139-83-13-6-49(55-24-66(95(123,124)125)40-67(25-55)96(126,127)128)32-75(83)76-33-50(7-14-84(76)139)56-26-68(97(129,130)131)41-69(27-56)98(132,133)134/h1-41H.
What are the key properties of 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile?
2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile has a molecular weight of 1972.37 g/mol, XLogP of 34.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile is sourced from PubChem (CID 163661742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).