2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile

C70H43F15N4 — CID 134296340

IUPAC2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2ccc3c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6cc(-c7cc(C)cc(C(F)(F)F)c7)ccc6c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc65)cc4C#N)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C70H43F15N4/c1-35-14-44(22-50(17-35)66(71,72)73)40-6-10-55-56-11-7-41(45-15-36(2)18-51(23-45)67(74,75)76)28-62(56)88(61(55)27-40)60-33-59(48-20-38(4)87-39(5)21-48)65(31-49(60)34-86)89-63-29-42(46-16-37(3)19-52(24-46)68(77,78)79)8-12-57(63)58-13-9-43(30-64(58)89)47-25-53(69(80,81)82)32-54(26-47)70(83,84)85/h6-33H,1-5H3
InChIKeyVOFHCUXHCBUJMZ-UHFFFAOYSA-N
MW1225.11 g/mol
LogP22.12
Rot. Bonds7

About 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile

2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile (PubChem CID 134296340) has the molecular formula C70H43F15N4 and a molecular weight of 1225.11 g/mol. Its IUPAC name is 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
PubChem CID134296340
Molecular FormulaC70H43F15N4
Molecular Weight1225.11 g/mol
Exact Mass1224.32
IUPAC Name2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2ccc3c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6cc(-c7cc(C)cc(C(F)(F)F)c7)ccc6c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc65)cc4C#N)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C70H43F15N4/c1-35-14-44(22-50(17-35)66(71,72)73)40-6-10-55-56-11-7-41(45-15-36(2)18-51(23-45)67(74,75)76)28-62(56)88(61(55)27-40)60-33-59(48-20-38(4)87-39(5)21-48)65(31-49(60)34-86)89-63-29-42(46-16-37(3)19-52(24-46)68(77,78)79)8-12-57(63)58-13-9-43(30-64(58)89)47-25-53(69(80,81)82)32-54(26-47)70(83,84)85/h6-33H,1-5H3
InChIKeyVOFHCUXHCBUJMZ-UHFFFAOYSA-N
XLogP22.12
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.11
LogP ≤ 522.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile with MolForge

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Related Compounds

5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302143
4-(4,6-dimethylpyrimidin-2-yl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158411914
4-(3-cyano-5-methylphenyl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159351324
2,5-bis(2-methylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295588
2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295590
4,5-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292968
5-[2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 149305061
2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301885
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 134300544
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 155427496
9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-4-(2,7-dicyanocarbazol-9-yl)phenyl]carbazole-2,7-dicarbonitrile
CID 134287663
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-ditert-butylcarbazol-9-yl)-5-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 134300623

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The IUPAC name of 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile (CID 134296340) is 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile is Cc1cc(-c2ccc3c4ccc(-c5cc(C)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6cc(-c7cc(C)cc(C(F)(F)F)c7)ccc6c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc65)cc4C#N)c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
The InChIKey is VOFHCUXHCBUJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43F15N4/c1-35-14-44(22-50(17-35)66(71,72)73)40-6-10-55-56-11-7-41(45-15-36(2)18-51(23-45)67(74,75)76)28-62(56)88(61(55)27-40)60-33-59(48-20-38(4)87-39(5)21-48)65(31-49(60)34-86)89-63-29-42(46-16-37(3)19-52(24-46)68(77,78)79)8-12-57(63)58-13-9-43(30-64(58)89)47-25-53(69(80,81)82)32-54(26-47)70(83,84)85/h6-33H,1-5H3.
What are the key properties of 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile?
2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile has a molecular weight of 1225.11 g/mol, XLogP of 22.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134296340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).