[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane

C41H34OP2 — CID 101405218

IUPAC[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane
SMILESCO[C@@H](C1=C(P(c2ccccc2)c2cccc3ccccc23)C=CC1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H34OP2/c1-42-41(36-26-13-14-28-39(36)43(32-19-5-2-6-20-32)33-21-7-3-8-22-33)37-27-16-30-40(37)44(34-23-9-4-10-24-34)38-29-15-18-31-17-11-12-25-35(31)38/h2-26,28-30,41H,27H2,1H3/t41-,44?/m1/s1
InChIKeyYIOWGSDQEAHKOO-SQIYJURUSA-N
MW604.67 g/mol
LogP8.63
Rot. Bonds9

About [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane

[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane (PubChem CID 101405218) has the molecular formula C41H34OP2 and a molecular weight of 604.67 g/mol. Its IUPAC name is [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane.

Molecular Properties

Compound Name[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane
PubChem CID101405218
Molecular FormulaC41H34OP2
Molecular Weight604.67 g/mol
Exact Mass604.21
IUPAC Name[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane
SMILESCO[C@@H](C1=C(P(c2ccccc2)c2cccc3ccccc23)C=CC1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H34OP2/c1-42-41(36-26-13-14-28-39(36)43(32-19-5-2-6-20-32)33-21-7-3-8-22-33)37-27-16-30-40(37)44(34-23-9-4-10-24-34)38-29-15-18-31-17-11-12-25-35(31)38/h2-26,28-30,41H,27H2,1H3/t41-,44?/m1/s1
InChIKeyYIOWGSDQEAHKOO-SQIYJURUSA-N
XLogP8.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
carbon monoxide;chromium;[2-[(S)-methoxy(pyridin-2-yl)methyl]phenyl]-diphenylphosphane
CID 135085124
(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
CID 101255313
ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
CID 118687805
perylen-3-yl(diphenyl)phosphane
CID 91193138
[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 143050703
1H-inden-4-yl(diphenyl)phosphane
CID 102082099
[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70880363
(S)-amino-(2-diphenylphosphanylphenyl)methanol
CID 98228975
bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
CID 58921864
CID 58921864

Frequently Asked Questions

What is the IUPAC name of [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane?
The IUPAC name of [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane (CID 101405218) is [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane.
What is the SMILES notation for [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane?
The canonical SMILES for [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane is CO[C@@H](C1=C(P(c2ccccc2)c2cccc3ccccc23)C=CC1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane?
The InChIKey is YIOWGSDQEAHKOO-SQIYJURUSA-N. The full InChI is InChI=1S/C41H34OP2/c1-42-41(36-26-13-14-28-39(36)43(32-19-5-2-6-20-32)33-21-7-3-8-22-33)37-27-16-30-40(37)44(34-23-9-4-10-24-34)38-29-15-18-31-17-11-12-25-35(31)38/h2-26,28-30,41H,27H2,1H3/t41-,44?/m1/s1.
What are the key properties of [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane?
[2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane has a molecular weight of 604.67 g/mol, XLogP of 8.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(S)-(2-diphenylphosphanylphenyl)-methoxymethyl]cyclopenta-1,4-dien-1-yl]-naphthalen-1-yl-phenylphosphane is sourced from PubChem (CID 101405218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).