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

C71H32F3N11 — CID 134473750

IUPAC4-[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
SMILESCc1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)cc1C#N
InChIInChI=1S/C71H32F3N11/c1-40-20-54(71(72,73)74)10-19-55(40)64-30-70(85-67-27-47(58-13-4-43(33-77)23-51(58)37-81)8-17-62(67)63-18-9-48(28-68(63)85)59-14-5-44(34-78)24-52(59)38-82)69(29-53(64)39-83)84-65-25-45(56-11-2-41(31-75)21-49(56)35-79)6-15-60(65)61-16-7-46(26-66(61)84)57-12-3-42(32-76)22-50(57)36-80/h2-30H,1H3
InChIKeyPWHOOKQKRFXJLB-UHFFFAOYSA-N
MW1096.11 g/mol
LogP16.39
Rot. Bonds7

About 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

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 (PubChem CID 134473750) has the molecular formula C71H32F3N11 and a molecular weight of 1096.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID134473750
Molecular FormulaC71H32F3N11
Molecular Weight1096.11 g/mol
Exact Mass1095.28
IUPAC Name4-[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
SMILESCc1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)cc1C#N
InChIInChI=1S/C71H32F3N11/c1-40-20-54(71(72,73)74)10-19-55(40)64-30-70(85-67-27-47(58-13-4-43(33-77)23-51(58)37-81)8-17-62(67)63-18-9-48(28-68(63)85)59-14-5-44(34-78)24-52(59)38-82)69(29-53(64)39-83)84-65-25-45(56-11-2-41(31-75)21-49(56)35-79)6-15-60(65)61-16-7-46(26-66(61)84)57-12-3-42(32-76)22-50(57)36-80/h2-30H,1H3
InChIKeyPWHOOKQKRFXJLB-UHFFFAOYSA-N
XLogP16.39
TPSA223.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.11
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 147981502
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
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 142414204
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292984
4-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473325
4-[9-[4-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465942
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 153303084
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427412
4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155216490
9-[4-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 134473582
4-[4-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 147357350
2-(4-cyano-2-fluorophenyl)-4,5-bis(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 153302979

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c(-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)cc1C#N.
What is the InChIKey of 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?
The InChIKey is PWHOOKQKRFXJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H32F3N11/c1-40-20-54(71(72,73)74)10-19-55(40)64-30-70(85-67-27-47(58-13-4-43(33-77)23-51(58)37-81)8-17-62(67)63-18-9-48(28-68(63)85)59-14-5-44(34-78)24-52(59)38-82)69(29-53(64)39-83)84-65-25-45(56-11-2-41(31-75)21-49(56)35-79)6-15-60(65)61-16-7-46(26-66(61)84)57-12-3-42(32-76)22-50(57)36-80/h2-30H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1096.11 g/mol, XLogP of 16.39, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134473750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).