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

C83H49F3N8 — CID 142508630

IUPAC2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C#N)c2-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C83H49F3N8/c84-83(85,86)66-40-52(50-87)39-65(41-66)67-25-30-81(93-77-26-21-57(61-31-35-89-73(46-61)53-13-5-1-6-14-53)42-68(77)69-43-58(22-27-78(69)93)62-32-36-90-74(47-62)54-15-7-2-8-16-54)72(51-88)82(67)94-79-28-23-59(63-33-37-91-75(48-63)55-17-9-3-10-18-55)44-70(79)71-45-60(24-29-80(71)94)64-34-38-92-76(49-64)56-19-11-4-12-20-56/h1-49H
InChIKeyHANJVAGRNYOPGO-UHFFFAOYSA-N
MW1215.36 g/mol
LogP21.23
Rot. Bonds11

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

2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 142508630) has the molecular formula C83H49F3N8 and a molecular weight of 1215.36 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID142508630
Molecular FormulaC83H49F3N8
Molecular Weight1215.36 g/mol
Exact Mass1214.40
IUPAC Name2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C#N)c2-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C83H49F3N8/c84-83(85,86)66-40-52(50-87)39-65(41-66)67-25-30-81(93-77-26-21-57(61-31-35-89-73(46-61)53-13-5-1-6-14-53)42-68(77)69-43-58(22-27-78(69)93)62-32-36-90-74(47-62)54-15-7-2-8-16-54)72(51-88)82(67)94-79-28-23-59(63-33-37-91-75(48-63)55-17-9-3-10-18-55)44-70(79)71-45-60(24-29-80(71)94)64-34-38-92-76(49-64)56-19-11-4-12-20-56/h1-49H
InChIKeyHANJVAGRNYOPGO-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 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(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 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile (CID 142508630) is 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(-n3c4ccc(-c5ccnc(-c6ccccc6)c5)cc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)c(C#N)c2-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is HANJVAGRNYOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49F3N8/c84-83(85,86)66-40-52(50-87)39-65(41-66)67-25-30-81(93-77-26-21-57(61-31-35-89-73(46-61)53-13-5-1-6-14-53)42-68(77)69-43-58(22-27-78(69)93)62-32-36-90-74(47-62)54-15-7-2-8-16-54)72(51-88)82(67)94-79-28-23-59(63-33-37-91-75(48-63)55-17-9-3-10-18-55)44-70(79)71-45-60(24-29-80(71)94)64-34-38-92-76(49-64)56-19-11-4-12-20-56/h1-49H.
What are the key properties of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(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 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 142508630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).