[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold

C56H56Au2Cl2O4P2 — CID 135084915

About [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold

[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold (PubChem CID 135084915) has the molecular formula C56H56Au2Cl2O4P2 and a molecular weight of 1319.85 g/mol. Its IUPAC name is [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold.

Molecular Properties

• Compound Name: [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
• PubChem CID: 135084915
• Molecular Formula: C56H56Au2Cl2O4P2
• Molecular Weight: 1319.85 g/mol
• Exact Mass: 1318.24
• IUPAC Name: [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
• SMILES: COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)c(OC)c(C)c3)c3cc(C)c(OC)c(C)c3)ccc3ccccc23)cc1C.Cl[Au].Cl[Au]
• InChI: InChI=1S/C56H56O4P2.2Au.2ClH/c1-33-25-43(26-34(2)53(33)57-9)61(44-27-35(3)54(58-10)36(4)28-44)49-23-21-41-17-13-15-19-47(41)51(49)52-48-20-16-14-18-42(48)22-24-50(52)62(45-29-37(5)55(59-11)38(6)30-45)46-31-39(7)56(60-12)40(8)32-46;;;;/h13-32H,1-12H3;;;2*1H/q;2*+1;;/p-2
• InChIKey: FEFMBJDSPUDFRL-UHFFFAOYSA-L
• XLogP: 13.05
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1319.85
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold?

The IUPAC name of [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold (CID 135084915) is [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold.

What is the SMILES notation for [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold?

The canonical SMILES for [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)c(OC)c(C)c3)c3cc(C)c(OC)c(C)c3)ccc3ccccc23)cc1C.Cl[Au].Cl[Au].

What is the InChIKey of [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold?

The InChIKey is FEFMBJDSPUDFRL-UHFFFAOYSA-L. The full InChI is InChI=1S/C56H56O4P2.2Au.2ClH/c1-33-25-43(26-34(2)53(33)57-9)61(44-27-35(3)54(58-10)36(4)28-44)49-23-21-41-17-13-15-19-47(41)51(49)52-48-20-16-14-18-42(48)22-24-50(52)62(45-29-37(5)55(59-11)38(6)30-45)46-31-39(7)56(60-12)40(8)32-46;;;;/h13-32H,1-12H3;;;2*1H/q;2*+1;;/p-2.

What are the key properties of [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold?

[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold has a molecular weight of 1319.85 g/mol, XLogP of 13.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold is sourced from PubChem (CID 135084915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).