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

C52H26F12N4 — CID 142452339

IUPAC4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)32-15-17-34(41(23-32)51(59,60)61)30-13-19-45-39(21-30)36-5-1-3-7-43(36)67(45)47-27-66-48(25-38(47)29-11-9-28(26-65)10-12-29)68-44-8-4-2-6-37(44)40-22-31(14-20-46(40)68)35-18-16-33(50(56,57)58)24-42(35)52(62,63)64/h1-25,27H
InChIKeyYIRSBGUDRKJNMH-UHFFFAOYSA-N
MW934.78 g/mol
LogP16.22
Rot. Bonds5

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

4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 142452339) has the molecular formula C52H26F12N4 and a molecular weight of 934.78 g/mol. Its IUPAC name is 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID142452339
Molecular FormulaC52H26F12N4
Molecular Weight934.78 g/mol
Exact Mass934.20
IUPAC Name4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)32-15-17-34(41(23-32)51(59,60)61)30-13-19-45-39(21-30)36-5-1-3-7-43(36)67(45)47-27-66-48(25-38(47)29-11-9-28(26-65)10-12-29)68-44-8-4-2-6-37(44)40-22-31(14-20-46(40)68)35-18-16-33(50(56,57)58)24-42(35)52(62,63)64/h1-25,27H
InChIKeyYIRSBGUDRKJNMH-UHFFFAOYSA-N
XLogP16.22
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.78
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]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 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 142452339) is 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1.
What is the InChIKey of 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is YIRSBGUDRKJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26F12N4/c53-49(54,55)32-15-17-34(41(23-32)51(59,60)61)30-13-19-45-39(21-30)36-5-1-3-7-43(36)67(45)47-27-66-48(25-38(47)29-11-9-28(26-65)10-12-29)68-44-8-4-2-6-37(44)40-22-31(14-20-46(40)68)35-18-16-33(50(56,57)58)24-42(35)52(62,63)64/h1-25,27H.
What are the key properties of 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 934.78 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 142452339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).