5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole

C55H33N7S — CID 58058968

IUPAC5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc4c3c2)nc1
InChIInChI=1S/C55H33N7S/c1-2-10-39(47-11-3-6-22-58-47)38(9-1)35-16-19-52-43(29-35)44-31-37(34-14-17-48-41(27-34)45-32-56-25-20-50(45)61(48)53-12-4-7-23-59-53)30-40(55(44)63-52)36-15-18-49-42(28-36)46-33-57-26-21-51(46)62(49)54-13-5-8-24-60-54/h1-33H
InChIKeyIHQCYRLDEZBCSV-UHFFFAOYSA-N
MW823.99 g/mol
LogP13.89
Rot. Bonds6

About 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole

5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole (PubChem CID 58058968) has the molecular formula C55H33N7S and a molecular weight of 823.99 g/mol. Its IUPAC name is 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
PubChem CID58058968
Molecular FormulaC55H33N7S
Molecular Weight823.99 g/mol
Exact Mass823.25
IUPAC Name5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc4c3c2)nc1
InChIInChI=1S/C55H33N7S/c1-2-10-39(47-11-3-6-22-58-47)38(9-1)35-16-19-52-43(29-35)44-31-37(34-14-17-48-41(27-34)45-32-56-25-20-50(45)61(48)53-12-4-7-23-59-53)30-40(55(44)63-52)36-15-18-49-42(28-36)46-33-57-26-21-51(46)62(49)54-13-5-8-24-60-54/h1-33H
InChIKeyIHQCYRLDEZBCSV-UHFFFAOYSA-N
XLogP13.89
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.99
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
The IUPAC name of 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole (CID 58058968) is 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
The canonical SMILES for 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole is c1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccn5)cc4c3c2)nc1.
What is the InChIKey of 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
The InChIKey is IHQCYRLDEZBCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N7S/c1-2-10-39(47-11-3-6-22-58-47)38(9-1)35-16-19-52-43(29-35)44-31-37(34-14-17-48-41(27-34)45-32-56-25-20-50(45)61(48)53-12-4-7-23-59-53)30-40(55(44)63-52)36-15-18-49-42(28-36)46-33-57-26-21-51(46)62(49)54-13-5-8-24-60-54/h1-33H.
What are the key properties of 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole?
5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole has a molecular weight of 823.99 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 58058968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).