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

C62H38N6O — CID 58099611

IUPAC8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccncc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc34)c2)nc1
InChIInChI=1S/C62H38N6O/c1-3-15-47(55-19-5-7-29-65-55)44(13-1)40-21-24-57-50(34-40)53-37-63-31-27-59(53)67(57)42-12-9-11-39(33-42)46-17-10-18-49-52-36-43(23-26-61(52)69-62(46)49)68-58-25-22-41(35-51(58)54-38-64-32-28-60(54)68)45-14-2-4-16-48(45)56-20-6-8-30-66-56/h1-38H
InChIKeyRYZVWIXFKITRQQ-UHFFFAOYSA-N
MW883.03 g/mol
LogP15.70
Rot. Bonds7

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

8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 58099611) has the molecular formula C62H38N6O and a molecular weight of 883.03 g/mol. Its IUPAC name is 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole
PubChem CID58099611
Molecular FormulaC62H38N6O
Molecular Weight883.03 g/mol
Exact Mass882.31
IUPAC Name8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccncc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc34)c2)nc1
InChIInChI=1S/C62H38N6O/c1-3-15-47(55-19-5-7-29-65-55)44(13-1)40-21-24-57-50(34-40)53-37-63-31-27-59(53)67(57)42-12-9-11-39(33-42)46-17-10-18-49-52-36-43(23-26-61(52)69-62(46)49)68-58-25-22-41(35-51(58)54-38-64-32-28-60(54)68)45-14-2-4-16-48(45)56-20-6-8-30-66-56/h1-38H
InChIKeyRYZVWIXFKITRQQ-UHFFFAOYSA-N
XLogP15.70
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.03
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole (CID 58099611) is 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2cccc(-c3cccc4c3oc3ccc(-n5c6ccncc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc34)c2)nc1.
What is the InChIKey of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is RYZVWIXFKITRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N6O/c1-3-15-47(55-19-5-7-29-65-55)44(13-1)40-21-24-57-50(34-40)53-37-63-31-27-59(53)67(57)42-12-9-11-39(33-42)46-17-10-18-49-52-36-43(23-26-61(52)69-62(46)49)68-58-25-22-41(35-51(58)54-38-64-32-28-60(54)68)45-14-2-4-16-48(45)56-20-6-8-30-66-56/h1-38H.
What are the key properties of 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole?
8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 883.03 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58099611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).