9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole

C40H24N4O — CID 58099669

IUPAC9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4cccc5c4oc4ccc(-n6c7ccccc7c7cccnc76)cc45)cc3c3cccnc32)cc1
InChIInChI=1S/C40H24N4O/c1-2-9-26(10-3-1)43-36-19-17-25(23-33(36)32-15-8-22-42-40(32)43)28-12-6-13-30-34-24-27(18-20-37(34)45-38(28)30)44-35-16-5-4-11-29(35)31-14-7-21-41-39(31)44/h1-24H
InChIKeyMTVHAOQTZPBWBH-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.24
Rot. Bonds3

About 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole

9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole (PubChem CID 58099669) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole
PubChem CID58099669
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4cccc5c4oc4ccc(-n6c7ccccc7c7cccnc76)cc45)cc3c3cccnc32)cc1
InChIInChI=1S/C40H24N4O/c1-2-9-26(10-3-1)43-36-19-17-25(23-33(36)32-15-8-22-42-40(32)43)28-12-6-13-30-34-24-27(18-20-37(34)45-38(28)30)44-35-16-5-4-11-29(35)31-14-7-21-41-39(31)44/h1-24H
InChIKeyMTVHAOQTZPBWBH-UHFFFAOYSA-N
XLogP10.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole (CID 58099669) is 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole is c1ccc(-n2c3ccc(-c4cccc5c4oc4ccc(-n6c7ccccc7c7cccnc76)cc45)cc3c3cccnc32)cc1.
What is the InChIKey of 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
The InChIKey is MTVHAOQTZPBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-2-9-26(10-3-1)43-36-19-17-25(23-33(36)32-15-8-22-42-40(32)43)28-12-6-13-30-34-24-27(18-20-37(34)45-38(28)30)44-35-16-5-4-11-29(35)31-14-7-21-41-39(31)44/h1-24H.
What are the key properties of 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole?
9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole has a molecular weight of 576.66 g/mol, XLogP of 10.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 58099669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).