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

C36H22FN5 — CID 59609488

IUPAC8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccncc3)n2)cn1
InChIInChI=1S/C36H22FN5/c37-29-10-11-33-30(21-29)36-34(6-3-15-39-36)42(33)35-12-9-27(22-40-35)32-20-28(19-31(41-32)24-13-16-38-17-14-24)26-8-7-23-4-1-2-5-25(23)18-26/h1-22H
InChIKeyCANJXOCOGQRXGJ-UHFFFAOYSA-N
MW543.61 g/mol
LogP8.66
Rot. Bonds4

About 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole

8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59609488) has the molecular formula C36H22FN5 and a molecular weight of 543.61 g/mol. Its IUPAC name is 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59609488
Molecular FormulaC36H22FN5
Molecular Weight543.61 g/mol
Exact Mass543.19
IUPAC Name8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccncc3)n2)cn1
InChIInChI=1S/C36H22FN5/c37-29-10-11-33-30(21-29)36-34(6-3-15-39-36)42(33)35-12-9-27(22-40-35)32-20-28(19-31(41-32)24-13-16-38-17-14-24)26-8-7-23-4-1-2-5-25(23)18-26/h1-22H
InChIKeyCANJXOCOGQRXGJ-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 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole (CID 59609488) is 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole is Fc1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccncc3)n2)cn1.
What is the InChIKey of 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is CANJXOCOGQRXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FN5/c37-29-10-11-33-30(21-29)36-34(6-3-15-39-36)42(33)35-12-9-27(22-40-35)32-20-28(19-31(41-32)24-13-16-38-17-14-24)26-8-7-23-4-1-2-5-25(23)18-26/h1-22H.
What are the key properties of 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole?
8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-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 8-fluoro-5-[5-(4-naphthalen-2-yl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59609488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).