[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

C34H29P — CID 148708793

IUPAC[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCC1=C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2CC1C
InChIInChI=1S/C34H29P/c1-24-23-27-14-10-12-20-31(27)33(25(24)2)34-30-19-11-9-13-26(30)21-22-32(34)35(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-22,24H,23H2,1-2H3
InChIKeyNWURXISVKSISKJ-UHFFFAOYSA-N
MW468.58 g/mol
LogP7.61
Rot. Bonds4

About [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 148708793) has the molecular formula C34H29P and a molecular weight of 468.58 g/mol. Its IUPAC name is [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID148708793
Molecular FormulaC34H29P
Molecular Weight468.58 g/mol
Exact Mass468.20
IUPAC Name[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESCC1=C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2CC1C
InChIInChI=1S/C34H29P/c1-24-23-27-14-10-12-20-31(27)33(25(24)2)34-30-19-11-9-13-26(30)21-22-32(34)35(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-22,24H,23H2,1-2H3
InChIKeyNWURXISVKSISKJ-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
CID 139996333
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
CID 15430391
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CID 148708793) is [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is CC1=C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2CC1C.
What is the InChIKey of [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is NWURXISVKSISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29P/c1-24-23-27-14-10-12-20-31(27)33(25(24)2)34-30-19-11-9-13-26(30)21-22-32(34)35(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-22,24H,23H2,1-2H3.
What are the key properties of [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 468.58 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 148708793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).