[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane

C46H36O4P2 — CID 10190388

IUPAC[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane
SMILESCc1cc2ccccc2c(-c2c(P(Oc3ccccc3)Oc3ccccc3)c(C)cc3ccccc23)c1P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C46H36O4P2/c1-33-31-35-19-15-17-29-41(35)43(45(33)51(47-37-21-7-3-8-22-37)48-38-23-9-4-10-24-38)44-42-30-18-16-20-36(42)32-34(2)46(44)52(49-39-25-11-5-12-26-39)50-40-27-13-6-14-28-40/h3-32H,1-2H3
InChIKeyBGTCQEOOYYAKCP-UHFFFAOYSA-N
MW714.74 g/mol
LogP12.47
Rot. Bonds11

About [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane

[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane (PubChem CID 10190388) has the molecular formula C46H36O4P2 and a molecular weight of 714.74 g/mol. Its IUPAC name is [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane.

Molecular Properties

Compound Name[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane
PubChem CID10190388
Molecular FormulaC46H36O4P2
Molecular Weight714.74 g/mol
Exact Mass714.21
IUPAC Name[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane
SMILESCc1cc2ccccc2c(-c2c(P(Oc3ccccc3)Oc3ccccc3)c(C)cc3ccccc23)c1P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C46H36O4P2/c1-33-31-35-19-15-17-29-41(35)43(45(33)51(47-37-21-7-3-8-22-37)48-38-23-9-4-10-24-38)44-42-30-18-16-20-36(42)32-34(2)46(44)52(49-39-25-11-5-12-26-39)50-40-27-13-6-14-28-40/h3-32H,1-2H3
InChIKeyBGTCQEOOYYAKCP-UHFFFAOYSA-N
XLogP12.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.74
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
CID 10305313
[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
CID 20820418
dicyclohexyl-[1-(2-dicyclohexylphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]phosphane
CID 20606205
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
CID 58780214
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
methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane
CID 157383217
diphenyl (2,4,6-trimethylphenyl) phosphite
CID 23454654
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
2-[1-[2-(2-hydroxyphenyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenol
CID 4181148

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane?
The IUPAC name of [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane (CID 10190388) is [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane.
What is the SMILES notation for [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane?
The canonical SMILES for [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane is Cc1cc2ccccc2c(-c2c(P(Oc3ccccc3)Oc3ccccc3)c(C)cc3ccccc23)c1P(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane?
The InChIKey is BGTCQEOOYYAKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36O4P2/c1-33-31-35-19-15-17-29-41(35)43(45(33)51(47-37-21-7-3-8-22-37)48-38-23-9-4-10-24-38)44-42-30-18-16-20-36(42)32-34(2)46(44)52(49-39-25-11-5-12-26-39)50-40-27-13-6-14-28-40/h3-32H,1-2H3.
What are the key properties of [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane?
[1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane has a molecular weight of 714.74 g/mol, XLogP of 12.47, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenoxyphosphanyl-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-yl]-diphenoxyphosphane is sourced from PubChem (CID 10190388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).