5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

C36H22FN5 — CID 59480515

IUPAC5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1cc(-c2cccc(-c3cccc4ccccc34)n2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1
InChIInChI=1S/C36H22FN5/c37-24-21-31(29-15-6-14-28(39-29)26-13-5-10-23-9-1-2-11-25(23)26)40-32(22-24)30-16-7-19-35(41-30)42-33-17-4-3-12-27(33)36-34(42)18-8-20-38-36/h1-22H
InChIKeyHEMFERJTKFKSQP-UHFFFAOYSA-N
MW543.61 g/mol
LogP8.66
Rot. Bonds4

About 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480515) has the molecular formula C36H22FN5 and a molecular weight of 543.61 g/mol. Its IUPAC name is 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59480515
Molecular FormulaC36H22FN5
Molecular Weight543.61 g/mol
Exact Mass543.19
IUPAC Name5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1cc(-c2cccc(-c3cccc4ccccc34)n2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1
InChIInChI=1S/C36H22FN5/c37-24-21-31(29-15-6-14-28(39-29)26-13-5-10-23-9-1-2-11-25(23)26)40-32(22-24)30-16-7-19-35(41-30)42-33-17-4-3-12-27(33)36-34(42)18-8-20-38-36/h1-22H
InChIKeyHEMFERJTKFKSQP-UHFFFAOYSA-N
XLogP8.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480515) is 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is Fc1cc(-c2cccc(-c3cccc4ccccc34)n2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.
What is the InChIKey of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is HEMFERJTKFKSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FN5/c37-24-21-31(29-15-6-14-28(39-29)26-13-5-10-23-9-1-2-11-25(23)26)40-32(22-24)30-16-7-19-35(41-30)42-33-17-4-3-12-27(33)36-34(42)18-8-20-38-36/h1-22H.
What are the key properties of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 543.61 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).