3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile

C56H32N10 — CID 170438068

IUPAC3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4cnccc43)c2-n2c3ccccc3c3cnccc32)c1
InChIInChI=1S/C56H32N10/c57-29-34-10-9-11-35(28-34)52-53(63-44-16-5-1-12-36(44)40-30-58-24-20-48(40)63)55(65-46-18-7-3-14-38(46)42-32-60-26-22-50(42)65)62-56(66-47-19-8-4-15-39(47)43-33-61-27-23-51(43)66)54(52)64-45-17-6-2-13-37(45)41-31-59-25-21-49(41)64/h1-28,30-33H
InChIKeyYPKGLJDIQCEFAN-UHFFFAOYSA-N
MW844.94 g/mol
LogP12.59
Rot. Bonds5

About 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile

3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile (PubChem CID 170438068) has the molecular formula C56H32N10 and a molecular weight of 844.94 g/mol. Its IUPAC name is 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
PubChem CID170438068
Molecular FormulaC56H32N10
Molecular Weight844.94 g/mol
Exact Mass844.28
IUPAC Name3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4cnccc43)c2-n2c3ccccc3c3cnccc32)c1
InChIInChI=1S/C56H32N10/c57-29-34-10-9-11-35(28-34)52-53(63-44-16-5-1-12-36(44)40-30-58-24-20-48(40)63)55(65-46-18-7-3-14-38(46)42-32-60-26-22-50(42)65)62-56(66-47-19-8-4-15-39(47)43-33-61-27-23-51(43)66)54(52)64-45-17-6-2-13-37(45)41-31-59-25-21-49(41)64/h1-28,30-33H
InChIKeyYPKGLJDIQCEFAN-UHFFFAOYSA-N
XLogP12.59
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.94
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
3-[2,5-di(carbazol-9-yl)-3-(3-cyanophenyl)-4,6-dimethylphenyl]benzonitrile
CID 139554104
5-[4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 150579110
3-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 146614802
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
5-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tris(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151536315
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
CID 135130926
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
9-[3,4,5-tris(3-cyanocarbazol-9-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-pyridin-4-ylphenyl]carbazole-3-carbonitrile
CID 139545281
5-[2-carbazol-9-yl-4-dibenzofuran-2-yl-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole;9-phenyl-3-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole
CID 160655506

Frequently Asked Questions

What is the IUPAC name of 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile (CID 170438068) is 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4cnccc43)c2-n2c3ccccc3c3cnccc32)c1.
What is the InChIKey of 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile?
The InChIKey is YPKGLJDIQCEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N10/c57-29-34-10-9-11-35(28-34)52-53(63-44-16-5-1-12-36(44)40-30-58-24-20-48(40)63)55(65-46-18-7-3-14-38(46)42-32-60-26-22-50(42)65)62-56(66-47-19-8-4-15-39(47)43-33-61-27-23-51(43)66)54(52)64-45-17-6-2-13-37(45)41-31-59-25-21-49(41)64/h1-28,30-33H.
What are the key properties of 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile?
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile has a molecular weight of 844.94 g/mol, XLogP of 12.59, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 170438068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).