[3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane

C34H28P2 — CID 59705759

IUPAC[3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane
SMILESCc1cc2cc(-c3ccccc3)ccc2c(-c2c(P)c(C)cc3cc(-c4ccccc4)ccc23)c1P
InChIInChI=1S/C34H28P2/c1-21-17-27-19-25(23-9-5-3-6-10-23)13-15-29(27)31(33(21)35)32-30-16-14-26(24-11-7-4-8-12-24)20-28(30)18-22(2)34(32)36/h3-20H,35-36H2,1-2H3
InChIKeyRLBZFZQAQJMHAB-UHFFFAOYSA-N
MW498.55 g/mol
LogP8.61
Rot. Bonds3

About [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane

[3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane (PubChem CID 59705759) has the molecular formula C34H28P2 and a molecular weight of 498.55 g/mol. Its IUPAC name is [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane.

Molecular Properties

Compound Name[3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane
PubChem CID59705759
Molecular FormulaC34H28P2
Molecular Weight498.55 g/mol
Exact Mass498.17
IUPAC Name[3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane
SMILESCc1cc2cc(-c3ccccc3)ccc2c(-c2c(P)c(C)cc3cc(-c4ccccc4)ccc23)c1P
InChIInChI=1S/C34H28P2/c1-21-17-27-19-25(23-9-5-3-6-10-23)13-15-29(27)31(33(21)35)32-30-16-14-26(24-11-7-4-8-12-24)20-28(30)18-22(2)34(32)36/h3-20H,35-36H2,1-2H3
InChIKeyRLBZFZQAQJMHAB-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane?
The IUPAC name of [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane (CID 59705759) is [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane.
What is the SMILES notation for [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane?
The canonical SMILES for [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane is Cc1cc2cc(-c3ccccc3)ccc2c(-c2c(P)c(C)cc3cc(-c4ccccc4)ccc23)c1P.
What is the InChIKey of [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane?
The InChIKey is RLBZFZQAQJMHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28P2/c1-21-17-27-19-25(23-9-5-3-6-10-23)13-15-29(27)31(33(21)35)32-30-16-14-26(24-11-7-4-8-12-24)20-28(30)18-22(2)34(32)36/h3-20H,35-36H2,1-2H3.
What are the key properties of [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane?
[3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane has a molecular weight of 498.55 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methyl-6-phenyl-2-phosphanylnaphthalen-1-yl)-6-phenylnaphthalen-2-yl]phosphane is sourced from PubChem (CID 59705759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).