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

C62H38N6O — CID 58099531

IUPAC8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4c(-c5ccccc5-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cccc4c3c2)nc1
InChIInChI=1S/C62H38N6O/c1-3-16-44(52-21-7-9-32-63-52)42(14-1)39-26-29-55-50(36-39)60-57(24-12-34-65-60)67(55)41-28-31-59-49(38-41)48-20-11-19-47(62(48)69-59)46-18-5-6-23-54(46)68-56-30-27-40(37-51(56)61-58(68)25-13-35-66-61)43-15-2-4-17-45(43)53-22-8-10-33-64-53/h1-38H
InChIKeyGAOQYLUMSPVNOQ-UHFFFAOYSA-N
MW883.03 g/mol
LogP15.70
Rot. Bonds7

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

8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 58099531) has the molecular formula C62H38N6O and a molecular weight of 883.03 g/mol. Its IUPAC name is 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole
PubChem CID58099531
Molecular FormulaC62H38N6O
Molecular Weight883.03 g/mol
Exact Mass882.31
IUPAC Name8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4c(-c5ccccc5-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cccc4c3c2)nc1
InChIInChI=1S/C62H38N6O/c1-3-16-44(52-21-7-9-32-63-52)42(14-1)39-26-29-55-50(36-39)60-57(24-12-34-65-60)67(55)41-28-31-59-49(38-41)48-20-11-19-47(62(48)69-59)46-18-5-6-23-54(46)68-56-30-27-40(37-51(56)61-58(68)25-13-35-66-61)43-15-2-4-17-45(43)53-22-8-10-33-64-53/h1-38H
InChIKeyGAOQYLUMSPVNOQ-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-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole (CID 58099531) is 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3oc4c(-c5ccccc5-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6ncccc65)cccc4c3c2)nc1.
What is the InChIKey of 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole?
The InChIKey is GAOQYLUMSPVNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N6O/c1-3-16-44(52-21-7-9-32-63-52)42(14-1)39-26-29-55-50(36-39)60-57(24-12-34-65-60)67(55)41-28-31-59-49(38-41)48-20-11-19-47(62(48)69-59)46-18-5-6-23-54(46)68-56-30-27-40(37-51(56)61-58(68)25-13-35-66-61)43-15-2-4-17-45(43)53-22-8-10-33-64-53/h1-38H.
What are the key properties of 8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole?
8-(2-pyridin-2-ylphenyl)-5-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-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-[2-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 58099531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).