4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile

C46H25N9 — CID 166759204

IUPAC4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4ccncc43)c2-n2c3ccccc3c3ccncc32)cc1C#N
InChIInChI=1S/C46H25N9/c47-23-29-14-13-28(21-30(29)24-48)37-22-44(53-38-10-4-1-7-31(38)34-15-18-49-25-41(34)53)52-46(55-40-12-6-3-9-33(40)36-17-20-51-27-43(36)55)45(37)54-39-11-5-2-8-32(39)35-16-19-50-26-42(35)54/h1-22,25-27H
InChIKeyQCSFXUUBTAYVOY-UHFFFAOYSA-N
MW703.77 g/mol
LogP9.97
Rot. Bonds4

About 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile

4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile (PubChem CID 166759204) has the molecular formula C46H25N9 and a molecular weight of 703.77 g/mol. Its IUPAC name is 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
PubChem CID166759204
Molecular FormulaC46H25N9
Molecular Weight703.77 g/mol
Exact Mass703.22
IUPAC Name4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4ccncc43)c2-n2c3ccccc3c3ccncc32)cc1C#N
InChIInChI=1S/C46H25N9/c47-23-29-14-13-28(21-30(29)24-48)37-22-44(53-38-10-4-1-7-31(38)34-15-18-49-25-41(34)53)52-46(55-40-12-6-3-9-33(40)36-17-20-51-27-43(36)55)45(37)54-39-11-5-2-8-32(39)35-16-19-50-26-42(35)54/h1-22,25-27H
InChIKeyQCSFXUUBTAYVOY-UHFFFAOYSA-N
XLogP9.97
TPSA113.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.77
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile with MolForge

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Launch Full Analysis

Related Compounds

bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)
CID 165011773
4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile
CID 70827248
4-[2,6-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile;4-[2,3,5,6-tetrakis(3-methylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 160901991
2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759220
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile
CID 155604034
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,2-dicarbonitrile
CID 140903115
3-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543439
2-carbazol-9-yl-5-(4,6-diphenyl-2-pyridinyl)-3-phenylbenzonitrile
CID 175219321
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
2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]quinoxaline-6,7-dicarbonitrile
CID 146512454
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068

Frequently Asked Questions

What is the IUPAC name of 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile (CID 166759204) is 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4ccncc43)c2-n2c3ccccc3c3ccncc32)cc1C#N.
What is the InChIKey of 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
The InChIKey is QCSFXUUBTAYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25N9/c47-23-29-14-13-28(21-30(29)24-48)37-22-44(53-38-10-4-1-7-31(38)34-15-18-49-25-41(34)53)52-46(55-40-12-6-3-9-33(40)36-17-20-51-27-43(36)55)45(37)54-39-11-5-2-8-32(39)35-16-19-50-26-42(35)54/h1-22,25-27H.
What are the key properties of 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile?
4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile has a molecular weight of 703.77 g/mol, XLogP of 9.97, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 166759204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).