5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C71H29F6N11 — CID 134473751

IUPAC5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(C#N)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)c1
InChIInChI=1S/C71H29F6N11/c72-70(73,74)56-5-10-57(63(28-56)71(75,76)77)62-29-69(88-66-25-49(53-19-43(34-82)13-44(20-53)35-83)3-8-60(66)61-9-4-50(26-67(61)88)54-21-45(36-84)14-46(22-54)37-85)68(27-55(62)38-86)87-64-23-47(51-15-39(30-78)11-40(16-51)31-79)1-6-58(64)59-7-2-48(24-65(59)87)52-17-41(32-80)12-42(18-52)33-81/h1-29H
InChIKeyYPGPMNZWNDUJMZ-UHFFFAOYSA-N
MW1150.08 g/mol
LogP17.10
Rot. Bonds7

About 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 134473751) has the molecular formula C71H29F6N11 and a molecular weight of 1150.08 g/mol. Its IUPAC name is 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID134473751
Molecular FormulaC71H29F6N11
Molecular Weight1150.08 g/mol
Exact Mass1149.25
IUPAC Name5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(C#N)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)c1
InChIInChI=1S/C71H29F6N11/c72-70(73,74)56-5-10-57(63(28-56)71(75,76)77)62-29-69(88-66-25-49(53-19-43(34-82)13-44(20-53)35-83)3-8-60(66)61-9-4-50(26-67(61)88)54-21-45(36-84)14-46(22-54)37-85)68(27-55(62)38-86)87-64-23-47(51-15-39(30-78)11-40(16-51)31-79)1-6-58(64)59-7-2-48(24-65(59)87)52-17-41(32-80)12-42(18-52)33-81/h1-29H
InChIKeyYPGPMNZWNDUJMZ-UHFFFAOYSA-N
XLogP17.10
TPSA223.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.08
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile 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

2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
4,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402110
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302160
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292984
5-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473326
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 162571618
9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 134473582
4-[9-[2-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyano-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473750
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414204
4,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321386
5-[9-[2-[2,7-bis(3,5-dicyanocyclohexa-2,4-dien-1-ylidene)carbazol-9-yl]-4-cyano-5-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 162609106

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 134473751) is 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(C#N)c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc(C#N)cc(C#N)c6)cc54)c3c2)c1.
What is the InChIKey of 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is YPGPMNZWNDUJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H29F6N11/c72-70(73,74)56-5-10-57(63(28-56)71(75,76)77)62-29-69(88-66-25-49(53-19-43(34-82)13-44(20-53)35-83)3-8-60(66)61-9-4-50(26-67(61)88)54-21-45(36-84)14-46(22-54)37-85)68(27-55(62)38-86)87-64-23-47(51-15-39(30-78)11-40(16-51)31-79)1-6-58(64)59-7-2-48(24-65(59)87)52-17-41(32-80)12-42(18-52)33-81/h1-29H.
What are the key properties of 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1150.08 g/mol, XLogP of 17.10, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134473751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).