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

C37H23N7 — CID 59480448

IUPAC9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1
InChIInChI=1S/C37H23N7/c1-3-14-32-24(8-1)26-18-20-38-22-34(26)43(32)36-16-6-12-30(41-36)28-10-5-11-29(40-28)31-13-7-17-37(42-31)44-33-15-4-2-9-25(33)27-19-21-39-23-35(27)44/h1-23H
InChIKeyINULKSUSMKYDRQ-UHFFFAOYSA-N
MW565.64 g/mol
LogP8.19
Rot. Bonds4

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

9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59480448) has the molecular formula C37H23N7 and a molecular weight of 565.64 g/mol. Its IUPAC name is 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID59480448
Molecular FormulaC37H23N7
Molecular Weight565.64 g/mol
Exact Mass565.20
IUPAC Name9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1
InChIInChI=1S/C37H23N7/c1-3-14-32-24(8-1)26-18-20-38-22-34(26)43(32)36-16-6-12-30(41-36)28-10-5-11-29(40-28)31-13-7-17-37(42-31)44-33-15-4-2-9-25(33)27-19-21-39-23-35(27)44/h1-23H
InChIKeyINULKSUSMKYDRQ-UHFFFAOYSA-N
XLogP8.19
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 59480448) is 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.
What is the InChIKey of 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is INULKSUSMKYDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7/c1-3-14-32-24(8-1)26-18-20-38-22-34(26)43(32)36-16-6-12-30(41-36)28-10-5-11-29(40-28)31-13-7-17-37(42-31)44-33-15-4-2-9-25(33)27-19-21-39-23-35(27)44/h1-23H.
What are the key properties of 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 565.64 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59480448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).