3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile

C44H23N7 — CID 138675530

IUPAC3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile
SMILESN#Cc1c(C#N)c(-c2ccccc2-n2c3ccccc3c3ccncc32)c(C#N)c(C#N)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C44H23N7/c45-23-34-36(25-47)44(33-16-8-10-18-41(33)51-40-17-9-7-15-31(40)32-19-20-49-27-42(32)51)37(26-48)35(24-46)43(34)30-21-38(28-11-3-1-4-12-28)50-39(22-30)29-13-5-2-6-14-29/h1-22,27H
InChIKeyCSPINMUIALXFNG-UHFFFAOYSA-N
MW649.72 g/mol
LogP9.73
Rot. Bonds5

About 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile

3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile (PubChem CID 138675530) has the molecular formula C44H23N7 and a molecular weight of 649.72 g/mol. Its IUPAC name is 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile.

Molecular Properties

Compound Name3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile
PubChem CID138675530
Molecular FormulaC44H23N7
Molecular Weight649.72 g/mol
Exact Mass649.20
IUPAC Name3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile
SMILESN#Cc1c(C#N)c(-c2ccccc2-n2c3ccccc3c3ccncc32)c(C#N)c(C#N)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C44H23N7/c45-23-34-36(25-47)44(33-16-8-10-18-41(33)51-40-17-9-7-15-31(40)32-19-20-49-27-42(32)51)37(26-48)35(24-46)43(34)30-21-38(28-11-3-1-4-12-28)50-39(22-30)29-13-5-2-6-14-29/h1-22,27H
InChIKeyCSPINMUIALXFNG-UHFFFAOYSA-N
XLogP9.73
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.72
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
CID 158193540
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 157460993
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]pyrido[3,4-b]indole;9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159798097
9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
CID 151501628
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 156678674
2,6-di(carbazol-9-yl)-3,5-bis(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523829
4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile
CID 70827248

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile?
The IUPAC name of 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile (CID 138675530) is 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile.
What is the SMILES notation for 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile?
The canonical SMILES for 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile is N#Cc1c(C#N)c(-c2ccccc2-n2c3ccccc3c3ccncc32)c(C#N)c(C#N)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile?
The InChIKey is CSPINMUIALXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H23N7/c45-23-34-36(25-47)44(33-16-8-10-18-41(33)51-40-17-9-7-15-31(40)32-19-20-49-27-42(32)51)37(26-48)35(24-46)43(34)30-21-38(28-11-3-1-4-12-28)50-39(22-30)29-13-5-2-6-14-29/h1-22,27H.
What are the key properties of 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile?
3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile has a molecular weight of 649.72 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile is sourced from PubChem (CID 138675530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).