[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane

C48H40P2 — CID 10305313

IUPAC[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
SMILESCc1cc2ccccc2c(-c2c(CP(c3ccccc3)c3ccccc3)c(C)cc3ccccc23)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H40P2/c1-35-31-37-19-15-17-29-43(37)47(45(35)33-49(39-21-7-3-8-22-39)40-23-9-4-10-24-40)48-44-30-18-16-20-38(44)32-36(2)46(48)34-50(41-25-11-5-12-26-41)42-27-13-6-14-28-42/h3-32H,33-34H2,1-2H3
InChIKeyCNMCSCMQFJZDBN-UHFFFAOYSA-N
MW678.80 g/mol
LogP11.54
Rot. Bonds9

About [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane

[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane (PubChem CID 10305313) has the molecular formula C48H40P2 and a molecular weight of 678.80 g/mol. Its IUPAC name is [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
PubChem CID10305313
Molecular FormulaC48H40P2
Molecular Weight678.80 g/mol
Exact Mass678.26
IUPAC Name[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
SMILESCc1cc2ccccc2c(-c2c(CP(c3ccccc3)c3ccccc3)c(C)cc3ccccc23)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H40P2/c1-35-31-37-19-15-17-29-43(37)47(45(35)33-49(39-21-7-3-8-22-39)40-23-9-4-10-24-40)48-44-30-18-16-20-38(44)32-36(2)46(48)34-50(41-25-11-5-12-26-41)42-27-13-6-14-28-42/h3-32H,33-34H2,1-2H3
InChIKeyCNMCSCMQFJZDBN-UHFFFAOYSA-N
XLogP11.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 511.54
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-(diphenylphosphanylmethyl)-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-yl]methyl-diphenylphosphane;tetrakis(2-ethyl-1-(2-ethyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene)
CID 162119112
(2,6-dimethylphenyl)methyl-diphenylphosphane
CID 130461808
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573
[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane
CID 10190388
9-anthracen-9-ylanthracene;toluene
CID 86148014
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1-[2-[ethyl(phenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-ol
CID 102477574

Frequently Asked Questions

What is the IUPAC name of [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane?
The IUPAC name of [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane (CID 10305313) is [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane is Cc1cc2ccccc2c(-c2c(CP(c3ccccc3)c3ccccc3)c(C)cc3ccccc23)c1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane?
The InChIKey is CNMCSCMQFJZDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40P2/c1-35-31-37-19-15-17-29-43(37)47(45(35)33-49(39-21-7-3-8-22-39)40-23-9-4-10-24-40)48-44-30-18-16-20-38(44)32-36(2)46(48)34-50(41-25-11-5-12-26-41)42-27-13-6-14-28-42/h3-32H,33-34H2,1-2H3.
What are the key properties of [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane?
[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane has a molecular weight of 678.80 g/mol, XLogP of 11.54, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 10305313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).