[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane

C62H44P2 — CID 100943233

IUPAC[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
SMILESc1ccc2c(P(Cc3ccc4ccccc4c3-c3c(CP(c4cccc5ccccc45)c4cccc5ccccc45)ccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C62H44P2/c1-7-27-51-43(17-1)23-13-33-57(51)63(58-34-14-24-44-18-2-8-28-52(44)58)41-49-39-37-47-21-5-11-31-55(47)61(49)62-50(40-38-48-22-6-12-32-56(48)62)42-64(59-35-15-25-45-19-3-9-29-53(45)59)60-36-16-26-46-20-4-10-30-54(46)60/h1-40H,41-42H2
InChIKeyQHCPQEDRIVTDQZ-UHFFFAOYSA-N
MW850.98 g/mol
LogP15.54
Rot. Bonds9

About [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane

[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane (PubChem CID 100943233) has the molecular formula C62H44P2 and a molecular weight of 850.98 g/mol. Its IUPAC name is [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane.

Molecular Properties

Compound Name[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
PubChem CID100943233
Molecular FormulaC62H44P2
Molecular Weight850.98 g/mol
Exact Mass850.29
IUPAC Name[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
SMILESc1ccc2c(P(Cc3ccc4ccccc4c3-c3c(CP(c4cccc5ccccc45)c4cccc5ccccc45)ccc4ccccc34)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C62H44P2/c1-7-27-51-43(17-1)23-13-33-57(51)63(58-34-14-24-44-18-2-8-28-52(44)58)41-49-39-37-47-21-5-11-31-55(47)61(49)62-50(40-38-48-22-6-12-32-56(48)62)42-64(59-35-15-25-45-19-3-9-29-53(45)59)60-36-16-26-46-20-4-10-30-54(46)60/h1-40H,41-42H2
InChIKeyQHCPQEDRIVTDQZ-UHFFFAOYSA-N
XLogP15.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.98
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane
CID 23221330
tetrasodium;3-[[1-[2-[bis(3-sulfonatophenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate
CID 11105117
difluoro(naphthalen-1-yl)phosphane
CID 102048113
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
copper(1+);[1-(2-dimethylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-dimethylphosphane;perchlorate
CID 134991287
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
CID 85293933
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
phenyl-[[1-[2-(phenylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]phosphane
CID 21335479

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane?
The IUPAC name of [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane (CID 100943233) is [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane.
What is the SMILES notation for [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane?
The canonical SMILES for [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane is c1ccc2c(P(Cc3ccc4ccccc4c3-c3c(CP(c4cccc5ccccc45)c4cccc5ccccc45)ccc4ccccc34)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane?
The InChIKey is QHCPQEDRIVTDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44P2/c1-7-27-51-43(17-1)23-13-33-57(51)63(58-34-14-24-44-18-2-8-28-52(44)58)41-49-39-37-47-21-5-11-31-55(47)61(49)62-50(40-38-48-22-6-12-32-56(48)62)42-64(59-35-15-25-45-19-3-9-29-53(45)59)60-36-16-26-46-20-4-10-30-54(46)60/h1-40H,41-42H2.
What are the key properties of [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane?
[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane has a molecular weight of 850.98 g/mol, XLogP of 15.54, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane is sourced from PubChem (CID 100943233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).