[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane

C54H52P2 — CID 20820573

IUPAC[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Cc2ccc3ccccc3c2-c2c(CP(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C54H52P2/c1-35-21-36(2)26-47(25-35)55(48-27-37(3)22-38(4)28-48)33-45-19-17-43-13-9-11-15-51(43)53(45)54-46(20-18-44-14-10-12-16-52(44)54)34-56(49-29-39(5)23-40(6)30-49)50-31-41(7)24-42(8)32-50/h9-32H,33-34H2,1-8H3
InChIKeyHJYOBHFWPYXKJA-UHFFFAOYSA-N
MW762.96 g/mol
LogP13.39
Rot. Bonds9

About [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane

[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane (PubChem CID 20820573) has the molecular formula C54H52P2 and a molecular weight of 762.96 g/mol. Its IUPAC name is [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
PubChem CID20820573
Molecular FormulaC54H52P2
Molecular Weight762.96 g/mol
Exact Mass762.35
IUPAC Name[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Cc2ccc3ccccc3c2-c2c(CP(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C54H52P2/c1-35-21-36(2)26-47(25-35)55(48-27-37(3)22-38(4)28-48)33-45-19-17-43-13-9-11-15-51(43)53(45)54-46(20-18-44-14-10-12-16-52(44)54)34-56(49-29-39(5)23-40(6)30-49)50-31-41(7)24-42(8)32-50/h9-32H,33-34H2,1-8H3
InChIKeyHJYOBHFWPYXKJA-UHFFFAOYSA-N
XLogP13.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane 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-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
CID 100943233
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
tetrasodium;3-[[1-[2-[bis(3-sulfonatophenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-(3-sulfonatophenyl)phosphanyl]benzenesulfonate
CID 11105117
[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
CID 10305313
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
[1-[2-[bis(2-methylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-dicyclohexylphosphane
CID 23221330
bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 22952292
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982149

Frequently Asked Questions

What is the IUPAC name of [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane (CID 20820573) is [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(Cc2ccc3ccccc3c2-c2c(CP(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c2cc(C)cc(C)c2)c1.
What is the InChIKey of [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is HJYOBHFWPYXKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52P2/c1-35-21-36(2)26-47(25-35)55(48-27-37(3)22-38(4)28-48)33-45-19-17-43-13-9-11-15-51(43)53(45)54-46(20-18-44-14-10-12-16-52(44)54)34-56(49-29-39(5)23-40(6)30-49)50-31-41(7)24-42(8)32-50/h9-32H,33-34H2,1-8H3.
What are the key properties of [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane?
[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 762.96 g/mol, XLogP of 13.39, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 20820573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).