2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

C48H27N7 — CID 134476269

IUPAC2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)cc1
InChIInChI=1S/C48H27N7/c49-28-31-11-15-33(16-12-31)37-21-23-43-41(25-37)42-26-38(34-17-13-32(29-50)14-18-34)22-24-44(42)55(43)45-27-39(19-20-40(45)30-51)48-53-46(35-7-3-1-4-8-35)52-47(54-48)36-9-5-2-6-10-36/h1-27H
InChIKeyQLJSYJFCIDUMGE-UHFFFAOYSA-N
MW701.79 g/mol
LogP10.92
Rot. Bonds6

About 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134476269) has the molecular formula C48H27N7 and a molecular weight of 701.79 g/mol. Its IUPAC name is 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134476269
Molecular FormulaC48H27N7
Molecular Weight701.79 g/mol
Exact Mass701.23
IUPAC Name2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)cc1
InChIInChI=1S/C48H27N7/c49-28-31-11-15-33(16-12-31)37-21-23-43-41(25-37)42-26-38(34-17-13-32(29-50)14-18-34)22-24-44(42)55(43)45-27-39(19-20-40(45)30-51)48-53-46(35-7-3-1-4-8-35)52-47(54-48)36-9-5-2-6-10-36/h1-27H
InChIKeyQLJSYJFCIDUMGE-UHFFFAOYSA-N
XLogP10.92
TPSA114.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.79
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508036
4-[3-[4,6-bis[4-(4-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163984936
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321349
4-(3,6-diphenylcarbazol-9-yl)-3-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003386
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
4-[4-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496057
4-[9-[2-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-3-ylphenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 138663207
4-[9-[2-[3-[2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 162500780

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 134476269) is 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)cc1.
What is the InChIKey of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is QLJSYJFCIDUMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N7/c49-28-31-11-15-33(16-12-31)37-21-23-43-41(25-37)42-26-38(34-17-13-32(29-50)14-18-34)22-24-44(42)55(43)45-27-39(19-20-40(45)30-51)48-53-46(35-7-3-1-4-8-35)52-47(54-48)36-9-5-2-6-10-36/h1-27H.
What are the key properties of 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 701.79 g/mol, XLogP of 10.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134476269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).