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

C83H49F3N8 — CID 137382199

IUPAC3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C83H49F3N8/c84-83(85,86)70-31-13-26-61(51-88)77(70)78-75(93-71-36-32-57(62-27-14-40-89-79(62)53-18-5-1-6-19-53)46-66(71)67-47-58(33-37-72(67)93)63-28-15-41-90-80(63)54-20-7-2-8-21-54)44-52(50-87)45-76(78)94-73-38-34-59(64-29-16-42-91-81(64)55-22-9-3-10-23-55)48-68(73)69-49-60(35-39-74(69)94)65-30-17-43-92-82(65)56-24-11-4-12-25-56/h1-49H
InChIKeyUZEIQRWPILSAOG-UHFFFAOYSA-N
MW1215.36 g/mol
LogP21.23
Rot. Bonds11

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

3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137382199) has the molecular formula C83H49F3N8 and a molecular weight of 1215.36 g/mol. Its IUPAC name is 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137382199
Molecular FormulaC83H49F3N8
Molecular Weight1215.36 g/mol
Exact Mass1214.40
IUPAC Name3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C83H49F3N8/c84-83(85,86)70-31-13-26-61(51-88)77(70)78-75(93-71-36-32-57(62-27-14-40-89-79(62)53-18-5-1-6-19-53)46-66(71)67-47-58(33-37-72(67)93)63-28-15-41-90-80(63)54-20-7-2-8-21-54)44-52(50-87)45-76(78)94-73-38-34-59(64-29-16-42-91-81(64)55-22-9-3-10-23-55)48-68(73)69-49-60(35-39-74(69)94)65-30-17-43-92-82(65)56-24-11-4-12-25-56/h1-49H
InChIKeyUZEIQRWPILSAOG-UHFFFAOYSA-N
XLogP21.23
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.36
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (CID 137382199) is 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.
What is the InChIKey of 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is UZEIQRWPILSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49F3N8/c84-83(85,86)70-31-13-26-61(51-88)77(70)78-75(93-71-36-32-57(62-27-14-40-89-79(62)53-18-5-1-6-19-53)46-66(71)67-47-58(33-37-72(67)93)63-28-15-41-90-80(63)54-20-7-2-8-21-54)44-52(50-87)45-76(78)94-73-38-34-59(64-29-16-42-91-81(64)55-22-9-3-10-23-55)48-68(73)69-49-60(35-39-74(69)94)65-30-17-43-92-82(65)56-24-11-4-12-25-56/h1-49H.
What are the key properties of 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1215.36 g/mol, XLogP of 21.23, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137382199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).