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

C62H40N10 — CID 150579110

IUPAC5-[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
SMILESCc1cc(-c2ccccc2-c2c(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4cnccc43)c2-n2c3ccccc3c3cnccc32)cc(C)n1
InChIInChI=1S/C62H40N10/c1-37-31-39(32-38(2)67-37)40-13-3-4-18-45(40)58-59(69-50-19-9-5-14-41(50)46-33-63-27-23-54(46)69)61(71-52-21-11-7-16-43(52)48-35-65-29-25-56(48)71)68-62(72-53-22-12-8-17-44(53)49-36-66-30-26-57(49)72)60(58)70-51-20-10-6-15-42(51)47-34-64-28-24-55(47)70/h3-36H,1-2H3
InChIKeyINLGXTHHFOXZTK-UHFFFAOYSA-N
MW925.07 g/mol
LogP14.40
Rot. Bonds6

About 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

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 (PubChem CID 150579110) has the molecular formula C62H40N10 and a molecular weight of 925.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID150579110
Molecular FormulaC62H40N10
Molecular Weight925.07 g/mol
Exact Mass924.34
IUPAC Name5-[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
SMILESCc1cc(-c2ccccc2-c2c(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4cnccc43)c2-n2c3ccccc3c3cnccc32)cc(C)n1
InChIInChI=1S/C62H40N10/c1-37-31-39(32-38(2)67-37)40-13-3-4-18-45(40)58-59(69-50-19-9-5-14-41(50)46-33-63-27-23-54(46)69)61(71-52-21-11-7-16-43(52)48-35-65-29-25-56(48)71)68-62(72-53-22-12-8-17-44(53)49-36-66-30-26-57(49)72)60(58)70-51-20-10-6-15-42(51)47-34-64-28-24-55(47)70/h3-36H,1-2H3
InChIKeyINLGXTHHFOXZTK-UHFFFAOYSA-N
XLogP14.40
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.07
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

5-[2,5,6-tris(benzo[b]carbazol-5-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]benzo[b]carbazole
CID 150686320
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
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
9-[2,5,6-tris(3,6-dicyanocarbazol-9-yl)-4-[2-(2,6-dimethyl-4-pyridinyl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile
CID 151427371
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068
5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227
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
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 158442826

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccccc2-c2c(-n3c4ccccc4c4cnccc43)c(-n3c4ccccc4c4cnccc43)nc(-n3c4ccccc4c4cnccc43)c2-n2c3ccccc3c3cnccc32)cc(C)n1.
What is the InChIKey of 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?
The InChIKey is INLGXTHHFOXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N10/c1-37-31-39(32-38(2)67-37)40-13-3-4-18-45(40)58-59(69-50-19-9-5-14-41(50)46-33-63-27-23-54(46)69)61(71-52-21-11-7-16-43(52)48-35-65-29-25-56(48)71)68-62(72-53-22-12-8-17-44(53)49-36-66-30-26-57(49)72)60(58)70-51-20-10-6-15-42(51)47-34-64-28-24-55(47)70/h3-36H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 925.07 g/mol, XLogP of 14.40, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 150579110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).