2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile

C80H46N8 — CID 155462902

IUPAC2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C80H46N8/c81-47-59-20-7-11-26-64(59)54-30-35-76-69(41-54)70-42-55(65-27-12-8-21-60(65)48-82)31-36-77(70)87(76)63-25-15-24-53(40-63)68-45-58(74-46-73(51-16-3-1-4-17-51)85-80(86-74)52-18-5-2-6-19-52)34-39-75(68)88-78-37-32-56(66-28-13-9-22-61(66)49-83)43-71(78)72-44-57(33-38-79(72)88)67-29-14-10-23-62(67)50-84/h1-46H
InChIKeyVCIQYCPYFJERKH-UHFFFAOYSA-N
MW1119.30 g/mol
LogP19.49
Rot. Bonds10

About 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile

2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile (PubChem CID 155462902) has the molecular formula C80H46N8 and a molecular weight of 1119.30 g/mol. Its IUPAC name is 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
PubChem CID155462902
Molecular FormulaC80H46N8
Molecular Weight1119.30 g/mol
Exact Mass1118.38
IUPAC Name2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C80H46N8/c81-47-59-20-7-11-26-64(59)54-30-35-76-69(41-54)70-42-55(65-27-12-8-21-60(65)48-82)31-36-77(70)87(76)63-25-15-24-53(40-63)68-45-58(74-46-73(51-16-3-1-4-17-51)85-80(86-74)52-18-5-2-6-19-52)34-39-75(68)88-78-37-32-56(66-28-13-9-22-61(66)49-83)43-71(78)72-44-57(33-38-79(72)88)67-29-14-10-23-62(67)50-84/h1-46H
InChIKeyVCIQYCPYFJERKH-UHFFFAOYSA-N
XLogP19.49
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.30
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile with MolForge

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Related Compounds

2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
9-[3-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155463206
9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155463257
2-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495738
2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 155761279
9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(3,5-dimethylphenyl)carbazole
CID 155761359
4-[9-[2-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155462890
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155232661
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155462602
4-[9-[2-[3-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[9-[2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[3-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 162019043
2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496162
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile (CID 155462902) is 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1.
What is the InChIKey of 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The InChIKey is VCIQYCPYFJERKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H46N8/c81-47-59-20-7-11-26-64(59)54-30-35-76-69(41-54)70-42-55(65-27-12-8-21-60(65)48-82)31-36-77(70)87(76)63-25-15-24-53(40-63)68-45-58(74-46-73(51-16-3-1-4-17-51)85-80(86-74)52-18-5-2-6-19-52)34-39-75(68)88-78-37-32-56(66-28-13-9-22-61(66)49-83)43-71(78)72-44-57(33-38-79(72)88)67-29-14-10-23-62(67)50-84/h1-46H.
What are the key properties of 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile has a molecular weight of 1119.30 g/mol, XLogP of 19.49, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile is sourced from PubChem (CID 155462902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).