2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

C78H36F18N8 — CID 134302120

IUPAC2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc(-c2ccncc2)cc1-n1c2ccc(-c3cc4c5ccc(C(F)(F)F)cc5n(-c5cc(-c6ccncc6)cc(-n6c7cc(C(F)(F)F)ccc7c7ccc(C(F)(F)F)cc76)c5C#N)c4cc3C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C78H36F18N8/c79-73(80,81)44-9-15-63-55(30-44)49-3-1-2-4-61(49)101(63)65-26-42(39-17-21-99-22-18-39)27-66(58(65)37-97)102-62-14-5-41(25-54(62)56-31-45(74(82,83)84)10-16-64(56)102)53-35-57-52-13-8-48(77(91,92)93)34-71(52)104(72(57)36-60(53)78(94,95)96)68-29-43(40-19-23-100-24-20-40)28-67(59(68)38-98)103-69-32-46(75(85,86)87)6-11-50(69)51-12-7-47(33-70(51)103)76(88,89)90/h1-36H
InChIKeyQITPZVFYAAUGDB-UHFFFAOYSA-N
MW1427.17 g/mol
LogP23.72
Rot. Bonds7

About 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 134302120) has the molecular formula C78H36F18N8 and a molecular weight of 1427.17 g/mol. Its IUPAC name is 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
PubChem CID134302120
Molecular FormulaC78H36F18N8
Molecular Weight1427.17 g/mol
Exact Mass1426.28
IUPAC Name2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc(-c2ccncc2)cc1-n1c2ccc(-c3cc4c5ccc(C(F)(F)F)cc5n(-c5cc(-c6ccncc6)cc(-n6c7cc(C(F)(F)F)ccc7c7ccc(C(F)(F)F)cc76)c5C#N)c4cc3C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C78H36F18N8/c79-73(80,81)44-9-15-63-55(30-44)49-3-1-2-4-61(49)101(63)65-26-42(39-17-21-99-22-18-39)27-66(58(65)37-97)102-62-14-5-41(25-54(62)56-31-45(74(82,83)84)10-16-64(56)102)53-35-57-52-13-8-48(77(91,92)93)34-71(52)104(72(57)36-60(53)78(94,95)96)68-29-43(40-19-23-100-24-20-40)28-67(59(68)38-98)103-69-32-46(75(85,86)87)6-11-50(69)51-12-7-47(33-70(51)103)76(88,89)90/h1-36H
InChIKeyQITPZVFYAAUGDB-UHFFFAOYSA-N
XLogP23.72
TPSA93.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.17
LogP ≤ 523.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 134302120) is 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc(-c2ccncc2)cc1-n1c2ccc(-c3cc4c5ccc(C(F)(F)F)cc5n(-c5cc(-c6ccncc6)cc(-n6c7cc(C(F)(F)F)ccc7c7ccc(C(F)(F)F)cc76)c5C#N)c4cc3C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
The InChIKey is QITPZVFYAAUGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H36F18N8/c79-73(80,81)44-9-15-63-55(30-44)49-3-1-2-4-61(49)101(63)65-26-42(39-17-21-99-22-18-39)27-66(58(65)37-97)102-62-14-5-41(25-54(62)56-31-45(74(82,83)84)10-16-64(56)102)53-35-57-52-13-8-48(77(91,92)93)34-71(52)104(72(57)36-60(53)78(94,95)96)68-29-43(40-19-23-100-24-20-40)28-67(59(68)38-98)103-69-32-46(75(85,86)87)6-11-50(69)51-12-7-47(33-70(51)103)76(88,89)90/h1-36H.
What are the key properties of 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?
2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 1427.17 g/mol, XLogP of 23.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-cyano-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazol-9-yl]-4-pyridin-4-yl-6-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134302120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).