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

C32H20N6 — CID 59480332

IUPAC5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C32H20N6/c1-3-13-25-21(9-1)31-27(15-7-19-33-31)37(25)29-17-5-11-23(35-29)24-12-6-18-30(36-24)38-26-14-4-2-10-22(26)32-28(38)16-8-20-34-32/h1-20H
InChIKeyVYMDZGQVFQTNRR-UHFFFAOYSA-N
MW488.55 g/mol
LogP7.13
Rot. Bonds3

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

5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480332) has the molecular formula C32H20N6 and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59480332
Molecular FormulaC32H20N6
Molecular Weight488.55 g/mol
Exact Mass488.17
IUPAC Name5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C32H20N6/c1-3-13-25-21(9-1)31-27(15-7-19-33-31)37(25)29-17-5-11-23(35-29)24-12-6-18-30(36-24)38-26-14-4-2-10-22(26)32-28(38)16-8-20-34-32/h1-20H
InChIKeyVYMDZGQVFQTNRR-UHFFFAOYSA-N
XLogP7.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole (CID 59480332) is 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is VYMDZGQVFQTNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6/c1-3-13-25-21(9-1)31-27(15-7-19-33-31)37(25)29-17-5-11-23(35-29)24-12-6-18-30(36-24)38-26-14-4-2-10-22(26)32-28(38)16-8-20-34-32/h1-20H.
What are the key properties of 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 488.55 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(6-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).