5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

C38H24N6 — CID 59480482

IUPAC5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-c2ccccc2-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C38H24N6/c1-4-17-31(43-32-18-5-2-12-26(32)37-34(43)20-9-23-39-37)25(11-1)28-14-7-15-29(41-28)30-16-8-22-36(42-30)44-33-19-6-3-13-27(33)38-35(44)21-10-24-40-38/h1-24H
InChIKeyHKVWHMCZZFKQHT-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.79
Rot. Bonds4

About 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480482) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59480482
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-c2ccccc2-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C38H24N6/c1-4-17-31(43-32-18-5-2-12-26(32)37-34(43)20-9-23-39-37)25(11-1)28-14-7-15-29(41-28)30-16-8-22-36(42-30)44-33-19-6-3-13-27(33)38-35(44)21-10-24-40-38/h1-24H
InChIKeyHKVWHMCZZFKQHT-UHFFFAOYSA-N
XLogP8.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480482) is 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-c2ccccc2-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is HKVWHMCZZFKQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-4-17-31(43-32-18-5-2-12-26(32)37-34(43)20-9-23-39-37)25(11-1)28-14-7-15-29(41-28)30-16-8-22-36(42-30)44-33-19-6-3-13-27(33)38-35(44)21-10-24-40-38/h1-24H.
What are the key properties of 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 564.65 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-(2-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).