diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane

C30H27P — CID 139996333

IUPACdiphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
SMILESCC1=CC(C)C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=C1C
InChIInChI=1S/C30H27P/c1-21-20-22(2)29(23(21)3)30-27-17-11-10-12-24(27)18-19-28(30)31(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-20,22H,1-3H3
InChIKeyBYPGGGORMXJJOZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP6.97
Rot. Bonds4

About diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane

diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane (PubChem CID 139996333) has the molecular formula C30H27P and a molecular weight of 418.52 g/mol. Its IUPAC name is diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
PubChem CID139996333
Molecular FormulaC30H27P
Molecular Weight418.52 g/mol
Exact Mass418.19
IUPAC Namediphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
SMILESCC1=CC(C)C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=C1C
InChIInChI=1S/C30H27P/c1-21-20-22(2)29(23(21)3)30-27-17-11-10-12-24(27)18-19-28(30)31(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-20,22H,1-3H3
InChIKeyBYPGGGORMXJJOZ-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 56.97
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

[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
1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
CID 23015278
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 148708793
[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
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane?
The IUPAC name of diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane (CID 139996333) is diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane.
What is the SMILES notation for diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane?
The canonical SMILES for diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane is CC1=CC(C)C(c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=C1C.
What is the InChIKey of diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane?
The InChIKey is BYPGGGORMXJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27P/c1-21-20-22(2)29(23(21)3)30-27-17-11-10-12-24(27)18-19-28(30)31(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-20,22H,1-3H3.
What are the key properties of diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane?
diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane has a molecular weight of 418.52 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane is sourced from PubChem (CID 139996333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).