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

C83H47F3N8 — CID 162571597

IUPAC2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccc(-c4c#cc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C83H47F3N8/c84-83(85,86)71-23-13-22-60(46-87)82(71)65-44-80(93-76-36-28-56(61-24-32-72(89-48-61)52-14-5-1-6-15-52)40-66(76)67-41-57(29-37-77(67)93)62-25-33-73(90-49-62)53-16-7-2-8-17-53)70(47-88)81(45-65)94-78-38-30-58(63-26-34-74(91-50-63)54-18-9-3-10-19-54)42-68(78)69-43-59(31-39-79(69)94)64-27-35-75(92-51-64)55-20-11-4-12-21-55/h1-26,28-34,36-45,48-51H
InChIKeyJNTUKNMNAXQVKL-UHFFFAOYSA-N
MW1213.34 g/mol
LogP20.83
Rot. Bonds11

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

2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 162571597) has the molecular formula C83H47F3N8 and a molecular weight of 1213.34 g/mol. Its IUPAC name is 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID162571597
Molecular FormulaC83H47F3N8
Molecular Weight1213.34 g/mol
Exact Mass1212.39
IUPAC Name2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccc(-c4c#cc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C83H47F3N8/c84-83(85,86)71-23-13-22-60(46-87)82(71)65-44-80(93-76-36-28-56(61-24-32-72(89-48-61)52-14-5-1-6-15-52)40-66(76)67-41-57(29-37-77(67)93)62-25-33-73(90-49-62)53-16-7-2-8-17-53)70(47-88)81(45-65)94-78-38-30-58(63-26-34-74(91-50-63)54-18-9-3-10-19-54)42-68(78)69-43-59(31-39-79(69)94)64-27-35-75(92-51-64)55-20-11-4-12-21-55/h1-26,28-34,36-45,48-51H
InChIKeyJNTUKNMNAXQVKL-UHFFFAOYSA-N
XLogP20.83
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.34
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381568
4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 162110068
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520059
3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381531
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575
4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-5-[2-(5-phenyl-2-pyridinyl)-7-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 163947146
4-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137382226
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile
CID 155646657
4-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 137382215
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
2,6-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508590
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile (CID 162571597) is 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3ccc(-c4c#cc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.
What is the InChIKey of 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is JNTUKNMNAXQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H47F3N8/c84-83(85,86)71-23-13-22-60(46-87)82(71)65-44-80(93-76-36-28-56(61-24-32-72(89-48-61)52-14-5-1-6-15-52)40-66(76)67-41-57(29-37-77(67)93)62-25-33-73(90-49-62)53-16-7-2-8-17-53)70(47-88)81(45-65)94-78-38-30-58(63-26-34-74(91-50-63)54-18-9-3-10-19-54)42-68(78)69-43-59(31-39-79(69)94)64-27-35-75(92-51-64)55-20-11-4-12-21-55/h1-26,28-34,36-45,48-51H.
What are the key properties of 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile?
2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 1213.34 g/mol, XLogP of 20.83, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3-(6-phenyl-4,5-didehydropyridin-3-yl)-6-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 162571597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).