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

C46H22F12N4 — CID 147088605

IUPAC4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C46H22F12N4/c47-43(48,49)26-9-13-37-31(18-26)32-19-27(44(50,51)52)10-14-38(32)61(37)41-17-25(23-59)30(36-8-4-7-35(60-36)24-5-2-1-3-6-24)22-42(41)62-39-15-11-28(45(53,54)55)20-33(39)34-21-29(46(56,57)58)12-16-40(34)62/h1-22H
InChIKeyBIIPBZCEGCDUKO-UHFFFAOYSA-N
MW858.69 g/mol
LogP14.56
Rot. Bonds4

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

4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 147088605) has the molecular formula C46H22F12N4 and a molecular weight of 858.69 g/mol. Its IUPAC name is 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID147088605
Molecular FormulaC46H22F12N4
Molecular Weight858.69 g/mol
Exact Mass858.17
IUPAC Name4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C46H22F12N4/c47-43(48,49)26-9-13-37-31(18-26)32-19-27(44(50,51)52)10-14-38(32)61(37)41-17-25(23-59)30(36-8-4-7-35(60-36)24-5-2-1-3-6-24)22-42(41)62-39-15-11-28(45(53,54)55)20-33(39)34-21-29(46(56,57)58)12-16-40(34)62/h1-22H
InChIKeyBIIPBZCEGCDUKO-UHFFFAOYSA-N
XLogP14.56
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.69
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Related Compounds

4,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147090698
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
2,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729233
4,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419834
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155014643
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302142
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
5-[4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-cyanophenyl]benzene-1,3-dicarbonitrile
CID 162612288
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile (CID 147088605) is 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile is N#Cc1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cccc(-c2ccccc2)n1.
What is the InChIKey of 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is BIIPBZCEGCDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22F12N4/c47-43(48,49)26-9-13-37-31(18-26)32-19-27(44(50,51)52)10-14-38(32)61(37)41-17-25(23-59)30(36-8-4-7-35(60-36)24-5-2-1-3-6-24)22-42(41)62-39-15-11-28(45(53,54)55)20-33(39)34-21-29(46(56,57)58)12-16-40(34)62/h1-22H.
What are the key properties of 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile?
4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 858.69 g/mol, XLogP of 14.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 147088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).