bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))

C76H54Au2N2P2+2 — CID 25132700

IUPACbis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))
SMILES[Au+3].[Au+3].[c-]1cc2ccccc2cc1-c1cccc(-c2[c-]cc3ccccc3c2)n1.[c-]1cc2ccccc2cc1-c1cccc(-c2[c-]cc3ccccc3c2)n1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C25H15N.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-3-8-20-16-22(14-12-18(20)6-1)24-10-5-11-25(26-24)23-15-13-19-7-2-4-9-21(19)17-23;;/h1-20H,21-22H2;2*1-13,16-17H;;/q;2*-2;2*+3
InChIKeyNXYLXMPWCYEDAT-UHFFFAOYSA-N
MW1451.16 g/mol
LogP17.89
Rot. Bonds11

About bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))

bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)) (PubChem CID 25132700) has the molecular formula C76H54Au2N2P2+2 and a molecular weight of 1451.16 g/mol. Its IUPAC name is bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)).

Molecular Properties

Compound Namebis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))
PubChem CID25132700
Molecular FormulaC76H54Au2N2P2+2
Molecular Weight1451.16 g/mol
Exact Mass1450.31
IUPAC Namebis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))
SMILES[Au+3].[Au+3].[c-]1cc2ccccc2cc1-c1cccc(-c2[c-]cc3ccccc3c2)n1.[c-]1cc2ccccc2cc1-c1cccc(-c2[c-]cc3ccccc3c2)n1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C25H15N.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-3-8-20-16-22(14-12-18(20)6-1)24-10-5-11-25(26-24)23-15-13-19-7-2-4-9-21(19)17-23;;/h1-20H,21-22H2;2*1-13,16-17H;;/q;2*-2;2*+3
InChIKeyNXYLXMPWCYEDAT-UHFFFAOYSA-N
XLogP17.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001451.16
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))
CID 25131993
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CID 59863409
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
chlororuthenium(1+);4-diphenylphosphanylbutyl(diphenyl)phosphane;[6-(4-methylbenzene-6-id-1-yl)-2-pyridinyl]methanamine
CID 54695427
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
2-naphthalen-1-ylethyl(diphenyl)phosphane
CID 173438152
2-bis[3-(trifluoromethyl)phenyl]phosphanylethyl-diphenylphosphane
CID 13332989
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
CID 172852253
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643

Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))?
The IUPAC name of bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)) (CID 25132700) is bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)).
What is the SMILES notation for bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))?
The canonical SMILES for bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)) is [Au+3].[Au+3].[c-]1cc2ccccc2cc1-c1cccc(-c2[c-]cc3ccccc3c2)n1.[c-]1cc2ccccc2cc1-c1cccc(-c2[c-]cc3ccccc3c2)n1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))?
The InChIKey is NXYLXMPWCYEDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24P2.2C25H15N.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-3-8-20-16-22(14-12-18(20)6-1)24-10-5-11-25(26-24)23-15-13-19-7-2-4-9-21(19)17-23;;/h1-20H,21-22H2;2*1-13,16-17H;;/q;2*-2;2*+3.
What are the key properties of bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+))?
bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)) has a molecular weight of 1451.16 g/mol, XLogP of 17.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis(3H-naphthalen-3-id-2-yl)pyridine);2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(3+)) is sourced from PubChem (CID 25132700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).