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

C70H38F3N7 — CID 155216775

IUPAC4-[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
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(C(F)(F)F)cc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1
InChIInChI=1S/C70H38F3N7/c71-70(72,73)61-38-69(80-66-31-27-54(49-21-13-45(41-76)14-22-49)35-58(66)59-36-55(28-32-67(59)80)50-23-15-46(42-77)16-24-50)68(37-60(61)63-8-4-7-62(78-63)51-5-2-1-3-6-51)79-64-29-25-52(47-17-9-43(39-74)10-18-47)33-56(64)57-34-53(26-30-65(57)79)48-19-11-44(40-75)12-20-48/h1-38H
InChIKeyAJHZDLNXEIDQHJ-UHFFFAOYSA-N
MW1034.12 g/mol
LogP17.78
Rot. Bonds8

About 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

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 (PubChem CID 155216775) has the molecular formula C70H38F3N7 and a molecular weight of 1034.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID155216775
Molecular FormulaC70H38F3N7
Molecular Weight1034.12 g/mol
Exact Mass1033.31
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(C(F)(F)F)cc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1
InChIInChI=1S/C70H38F3N7/c71-70(72,73)61-38-69(80-66-31-27-54(49-21-13-45(41-76)14-22-49)35-58(66)59-36-55(28-32-67(59)80)50-23-15-46(42-77)16-24-50)68(37-60(61)63-8-4-7-62(78-63)51-5-2-1-3-6-51)79-64-29-25-52(47-17-9-43(39-74)10-18-47)33-56(64)57-34-53(26-30-65(57)79)48-19-11-44(40-75)12-20-48/h1-38H
InChIKeyAJHZDLNXEIDQHJ-UHFFFAOYSA-N
XLogP17.78
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.12
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 155216680
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
4,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 147088605
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821
9-[2-(2,7-dimethylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-2,7-dimethylcarbazole
CID 155216770
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(C(F)(F)F)cc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is AJHZDLNXEIDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38F3N7/c71-70(72,73)61-38-69(80-66-31-27-54(49-21-13-45(41-76)14-22-49)35-58(66)59-36-55(28-32-67(59)80)50-23-15-46(42-77)16-24-50)68(37-60(61)63-8-4-7-62(78-63)51-5-2-1-3-6-51)79-64-29-25-52(47-17-9-43(39-74)10-18-47)33-56(64)57-34-53(26-30-65(57)79)48-19-11-44(40-75)12-20-48/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 1034.12 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155216775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).