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

C84H51F3N8 — CID 137381835

IUPAC5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-n2c3ccc(Cc4cccc(-c5ccccc5)n4)cc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc1-c1c(C#N)cccc1C(F)(F)F
InChIInChI=1S/C84H51F3N8/c85-84(86,87)69-28-13-26-61(51-88)83(69)67-50-82(94-77-43-36-53(44-63-27-14-29-70(90-63)54-18-5-1-6-19-54)45-68(77)66-42-39-60(48-80(66)94)76-35-17-32-73(93-76)57-24-11-4-12-25-57)81(49-62(67)52-89)95-78-46-58(74-33-15-30-71(91-74)55-20-7-2-8-21-55)37-40-64(78)65-41-38-59(47-79(65)95)75-34-16-31-72(92-75)56-22-9-3-10-23-56/h1-43,45-50H,44H2
InChIKeyODDJSNRLILYVQD-UHFFFAOYSA-N
MW1229.38 g/mol
LogP21.15
Rot. Bonds12

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

5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile (PubChem CID 137381835) has the molecular formula C84H51F3N8 and a molecular weight of 1229.38 g/mol. Its IUPAC name is 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile
PubChem CID137381835
Molecular FormulaC84H51F3N8
Molecular Weight1229.38 g/mol
Exact Mass1228.42
IUPAC Name5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-n2c3ccc(Cc4cccc(-c5ccccc5)n4)cc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc1-c1c(C#N)cccc1C(F)(F)F
InChIInChI=1S/C84H51F3N8/c85-84(86,87)69-28-13-26-61(51-88)83(69)67-50-82(94-77-43-36-53(44-63-27-14-29-70(90-63)54-18-5-1-6-19-54)45-68(77)66-42-39-60(48-80(66)94)76-35-17-32-73(93-76)57-24-11-4-12-25-57)81(49-62(67)52-89)95-78-46-58(74-33-15-30-71(91-74)55-20-7-2-8-21-55)37-40-64(78)65-41-38-59(47-79(65)95)75-34-16-31-72(92-75)56-22-9-3-10-23-56/h1-43,45-50H,44H2
InChIKeyODDJSNRLILYVQD-UHFFFAOYSA-N
XLogP21.15
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.38
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile?
The IUPAC name of 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile (CID 137381835) is 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-n2c3ccc(Cc4cccc(-c5ccccc5)n4)cc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc1-c1c(C#N)cccc1C(F)(F)F.
What is the InChIKey of 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile?
The InChIKey is ODDJSNRLILYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51F3N8/c85-84(86,87)69-28-13-26-61(51-88)83(69)67-50-82(94-77-43-36-53(44-63-27-14-29-70(90-63)54-18-5-1-6-19-54)45-68(77)66-42-39-60(48-80(66)94)76-35-17-32-73(93-76)57-24-11-4-12-25-57)81(49-62(67)52-89)95-78-46-58(74-33-15-30-71(91-74)55-20-7-2-8-21-55)37-40-64(78)65-41-38-59(47-79(65)95)75-34-16-31-72(92-75)56-22-9-3-10-23-56/h1-43,45-50H,44H2.
What are the key properties of 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile?
5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile has a molecular weight of 1229.38 g/mol, XLogP of 21.15, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenyl-2-pyridinyl)-6-[(6-phenyl-2-pyridinyl)methyl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 137381835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).