9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole

C34H22N4 — CID 102107926

IUPAC9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C34H22N4/c1-3-17-31-27(13-1)29-15-7-19-35-33(29)37(31)25-11-5-9-23(21-25)24-10-6-12-26(22-24)38-32-18-4-2-14-28(32)30-16-8-20-36-34(30)38/h1-22H
InChIKeyWDYNTQPSXSXBSX-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole

9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole (PubChem CID 102107926) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole
PubChem CID102107926
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C34H22N4/c1-3-17-31-27(13-1)29-15-7-19-35-33(29)37(31)25-11-5-9-23(21-25)24-10-6-12-26(22-24)38-32-18-4-2-14-28(32)30-16-8-20-36-34(30)38/h1-22H
InChIKeyWDYNTQPSXSXBSX-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole (CID 102107926) is 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-n2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole?
The InChIKey is WDYNTQPSXSXBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-17-31-27(13-1)29-15-7-19-35-33(29)37(31)25-11-5-9-23(21-25)24-10-6-12-26(22-24)38-32-18-4-2-14-28(32)30-16-8-20-36-34(30)38/h1-22H.
What are the key properties of 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole?
9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole has a molecular weight of 486.58 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 102107926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).