1,5-naphthyridin-4-yl(diphenyl)phosphane

C40H30N4P2 — CID 139084766

IUPAC1,5-naphthyridin-4-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccnc3cccnc23)cc1.c1ccc(P(c2ccccc2)c2ccnc3cccnc23)cc1
InChIInChI=1S/2C20H15N2P/c2*1-3-8-16(9-4-1)23(17-10-5-2-6-11-17)19-13-15-21-18-12-7-14-22-20(18)19/h2*1-15H
InChIKeyPPRWNNOJNTXCQP-UHFFFAOYSA-N
MW628.66 g/mol
LogP6.78
Rot. Bonds6

About 1,5-naphthyridin-4-yl(diphenyl)phosphane

1,5-naphthyridin-4-yl(diphenyl)phosphane (PubChem CID 139084766) has the molecular formula C40H30N4P2 and a molecular weight of 628.66 g/mol. Its IUPAC name is 1,5-naphthyridin-4-yl(diphenyl)phosphane.

Molecular Properties

Compound Name1,5-naphthyridin-4-yl(diphenyl)phosphane
PubChem CID139084766
Molecular FormulaC40H30N4P2
Molecular Weight628.66 g/mol
Exact Mass628.19
IUPAC Name1,5-naphthyridin-4-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccnc3cccnc23)cc1.c1ccc(P(c2ccccc2)c2ccnc3cccnc23)cc1
InChIInChI=1S/2C20H15N2P/c2*1-3-8-16(9-4-1)23(17-10-5-2-6-11-17)19-13-15-21-18-12-7-14-22-20(18)19/h2*1-15H
InChIKeyPPRWNNOJNTXCQP-UHFFFAOYSA-N
XLogP6.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.66
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Tris[2,2'-bipyridine]ruthenium dichloride
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Tris(1,10-phenanthroline)iron(2+)
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Frequently Asked Questions

What is the IUPAC name of 1,5-naphthyridin-4-yl(diphenyl)phosphane?
The IUPAC name of 1,5-naphthyridin-4-yl(diphenyl)phosphane (CID 139084766) is 1,5-naphthyridin-4-yl(diphenyl)phosphane.
What is the SMILES notation for 1,5-naphthyridin-4-yl(diphenyl)phosphane?
The canonical SMILES for 1,5-naphthyridin-4-yl(diphenyl)phosphane is c1ccc(P(c2ccccc2)c2ccnc3cccnc23)cc1.c1ccc(P(c2ccccc2)c2ccnc3cccnc23)cc1.
What is the InChIKey of 1,5-naphthyridin-4-yl(diphenyl)phosphane?
The InChIKey is PPRWNNOJNTXCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N2P/c2*1-3-8-16(9-4-1)23(17-10-5-2-6-11-17)19-13-15-21-18-12-7-14-22-20(18)19/h2*1-15H.
What are the key properties of 1,5-naphthyridin-4-yl(diphenyl)phosphane?
1,5-naphthyridin-4-yl(diphenyl)phosphane has a molecular weight of 628.66 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-naphthyridin-4-yl(diphenyl)phosphane is sourced from PubChem (CID 139084766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).