[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane

C46H48O2P2 — CID 11227787

IUPAC[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCOc1cccc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1-c1c(OC)cccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C46H48O2P2/c1-29-17-30(2)22-37(21-29)49(38-23-31(3)18-32(4)24-38)43-15-11-13-41(47-9)45(43)46-42(48-10)14-12-16-44(46)50(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h11-28H,1-10H3
InChIKeyIMUHNRWTDUVXOU-UHFFFAOYSA-N
MW694.84 g/mol
LogP9.35
Rot. Bonds9

About [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane

[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane (PubChem CID 11227787) has the molecular formula C46H48O2P2 and a molecular weight of 694.84 g/mol. Its IUPAC name is [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
PubChem CID11227787
Molecular FormulaC46H48O2P2
Molecular Weight694.84 g/mol
Exact Mass694.31
IUPAC Name[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCOc1cccc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1-c1c(OC)cccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C46H48O2P2/c1-29-17-30(2)22-37(21-29)49(38-23-31(3)18-32(4)24-38)43-15-11-13-41(47-9)45(43)46-42(48-10)14-12-16-44(46)50(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h11-28H,1-10H3
InChIKeyIMUHNRWTDUVXOU-UHFFFAOYSA-N
XLogP9.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
CID 636044
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
Phosphine oxide, [(2-methoxyphenyl)methyl]diphenyl-
CID 796917
4,4''-Dimethoxy-1,1':3',1''-terphenyl
CID 4608762
Isoplagiochin D Tetramethyl Ether
CID 11225392
1,1',1'',1'''-(1,2-Ethenediylidene)tetrakis(4-methoxybenzene)
CID 24797
(2'-Methoxy-1,1'-binaphthalen-2-yl)(diphenyl)phosphine
CID 4190002
R-(-)-1,13-Bis(diphenylphosphino)-7,8-dihydro-6H-dibenzo(f,h)(1,5)dioxonin
CID 10722198
(2',6'-Dimethoxy-[1,1'-biphenyl]-2-yl)diphenylphosphine
CID 71651621
Tris(2-methoxyphenyl)-[[4-[[4-[tris(2-methoxyphenyl)phosphaniumylmethyl]phenyl]methyl]phenyl]methyl]phosphanium dibromide
CID 57342681

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane (CID 11227787) is [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane is COc1cccc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1-c1c(OC)cccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is IMUHNRWTDUVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48O2P2/c1-29-17-30(2)22-37(21-29)49(38-23-31(3)18-32(4)24-38)43-15-11-13-41(47-9)45(43)46-42(48-10)14-12-16-44(46)50(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h11-28H,1-10H3.
What are the key properties of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
[2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 694.84 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(3,5-dimethylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 11227787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).