2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile

C124H92F12N8 — CID 146543793

IUPAC2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cncc(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(Cc6ccc7c(c6)c6ccc(C8CC(C(F)(F)F)CC(C(F)(F)F)C8)cc6n7-c6cncc(-n7c8ccccc8c8ccc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc87)c6-c6ccccc6C#N)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C124H92F12N8/c1-66-37-69(4)115(70(5)38-66)83-26-33-105-99(52-83)100-53-84(116-71(6)39-67(2)40-72(116)7)27-34-106(100)141(105)111-62-139-63-112(119(111)82-19-16-17-78(46-82)60-137)142-107-35-28-85(117-73(8)41-68(3)42-74(117)9)54-101(107)102-55-86(29-36-108(102)142)118-75(10)43-79(44-76(118)11)45-77-23-32-104-98(47-77)97-31-25-81(89-50-92(123(131,132)133)59-93(51-89)124(134,135)136)57-110(97)144(104)114-65-140-64-113(120(114)94-20-13-12-18-87(94)61-138)143-103-22-15-14-21-95(103)96-30-24-80(56-109(96)143)88-48-90(121(125,126)127)58-91(49-88)122(128,129)130/h12-44,46-49,52-58,62-65,89,92-93H,45,50-51,59H2,1-11H3
InChIKeyWMUDKIPSGXGKBE-UHFFFAOYSA-N
MW1922.13 g/mol
LogP34.92
Rot. Bonds14

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

2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146543793) has the molecular formula C124H92F12N8 and a molecular weight of 1922.13 g/mol. Its IUPAC name is 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146543793
Molecular FormulaC124H92F12N8
Molecular Weight1922.13 g/mol
Exact Mass1920.73
IUPAC Name2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cncc(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(Cc6ccc7c(c6)c6ccc(C8CC(C(F)(F)F)CC(C(F)(F)F)C8)cc6n7-c6cncc(-n7c8ccccc8c8ccc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc87)c6-c6ccccc6C#N)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C124H92F12N8/c1-66-37-69(4)115(70(5)38-66)83-26-33-105-99(52-83)100-53-84(116-71(6)39-67(2)40-72(116)7)27-34-106(100)141(105)111-62-139-63-112(119(111)82-19-16-17-78(46-82)60-137)142-107-35-28-85(117-73(8)41-68(3)42-74(117)9)54-101(107)102-55-86(29-36-108(102)142)118-75(10)43-79(44-76(118)11)45-77-23-32-104-98(47-77)97-31-25-81(89-50-92(123(131,132)133)59-93(51-89)124(134,135)136)57-110(97)144(104)114-65-140-64-113(120(114)94-20-13-12-18-87(94)61-138)143-103-22-15-14-21-95(103)96-30-24-80(56-109(96)143)88-48-90(121(125,126)127)58-91(49-88)122(128,129)130/h12-44,46-49,52-58,62-65,89,92-93H,45,50-51,59H2,1-11H3
InChIKeyWMUDKIPSGXGKBE-UHFFFAOYSA-N
XLogP34.92
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.13
LogP ≤ 534.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146543793) is 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cncc(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(Cc6ccc7c(c6)c6ccc(C8CC(C(F)(F)F)CC(C(F)(F)F)C8)cc6n7-c6cncc(-n7c8ccccc8c8ccc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc87)c6-c6ccccc6C#N)cc5C)ccc43)c2-c2cccc(C#N)c2)c(C)c1.
What is the InChIKey of 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is WMUDKIPSGXGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H92F12N8/c1-66-37-69(4)115(70(5)38-66)83-26-33-105-99(52-83)100-53-84(116-71(6)39-67(2)40-72(116)7)27-34-106(100)141(105)111-62-139-63-112(119(111)82-19-16-17-78(46-82)60-137)142-107-35-28-85(117-73(8)41-68(3)42-74(117)9)54-101(107)102-55-86(29-36-108(102)142)118-75(10)43-79(44-76(118)11)45-77-23-32-104-98(47-77)97-31-25-81(89-50-92(123(131,132)133)59-93(51-89)124(134,135)136)57-110(97)144(104)114-65-140-64-113(120(114)94-20-13-12-18-87(94)61-138)143-103-22-15-14-21-95(103)96-30-24-80(56-109(96)143)88-48-90(121(125,126)127)58-91(49-88)122(128,129)130/h12-44,46-49,52-58,62-65,89,92-93H,45,50-51,59H2,1-11H3.
What are the key properties of 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 1922.13 g/mol, XLogP of 34.92, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3,5-bis(trifluoromethyl)cyclohexyl]-6-[[4-[9-[5-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).