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

C64H34F12N4 — CID 134302142

IUPAC4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C64H34F12N4/c65-61(66,67)44-23-40(24-45(32-44)62(68,69)70)38-19-21-57-51(27-38)48-15-7-9-17-55(48)79(57)59-31-43(35-77)50(42-29-53(36-11-3-1-4-12-36)78-54(30-42)37-13-5-2-6-14-37)34-60(59)80-56-18-10-8-16-49(56)52-28-39(20-22-58(52)80)41-25-46(63(71,72)73)33-47(26-41)64(74,75)76/h1-34H
InChIKeyBYCOERQHGFXLNS-UHFFFAOYSA-N
MW1086.98 g/mol
LogP19.56
Rot. Bonds7

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

4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile (PubChem CID 134302142) has the molecular formula C64H34F12N4 and a molecular weight of 1086.98 g/mol. Its IUPAC name is 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
PubChem CID134302142
Molecular FormulaC64H34F12N4
Molecular Weight1086.98 g/mol
Exact Mass1086.26
IUPAC Name4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C64H34F12N4/c65-61(66,67)44-23-40(24-45(32-44)62(68,69)70)38-19-21-57-51(27-38)48-15-7-9-17-55(48)79(57)59-31-43(35-77)50(42-29-53(36-11-3-1-4-12-36)78-54(30-42)37-13-5-2-6-14-37)34-60(59)80-56-18-10-8-16-49(56)52-28-39(20-22-58(52)80)41-25-46(63(71,72)73)33-47(26-41)64(74,75)76/h1-34H
InChIKeyBYCOERQHGFXLNS-UHFFFAOYSA-N
XLogP19.56
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.98
LogP ≤ 519.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 134287516
4,5-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134300498
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
4,5-bis[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292968
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155217531
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
4,5-bis[3-(3-cyanophenyl)carbazol-9-yl]-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 139562714
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 156511503
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942
2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzonitrile
CID 138736607
2-[3-cyano-5-(trifluoromethyl)phenyl]-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427705
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile?
The IUPAC name of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile (CID 134302142) is 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile?
The InChIKey is BYCOERQHGFXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34F12N4/c65-61(66,67)44-23-40(24-45(32-44)62(68,69)70)38-19-21-57-51(27-38)48-15-7-9-17-55(48)79(57)59-31-43(35-77)50(42-29-53(36-11-3-1-4-12-36)78-54(30-42)37-13-5-2-6-14-37)34-60(59)80-56-18-10-8-16-49(56)52-28-39(20-22-58(52)80)41-25-46(63(71,72)73)33-47(26-41)64(74,75)76/h1-34H.
What are the key properties of 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile?
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile has a molecular weight of 1086.98 g/mol, XLogP of 19.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134302142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).