[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane

C172H190P22 — CID 161047242

IUPAC[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
SMILESCc1cc(-c2ccc(-c3cc(CP)c(CP)cc3C)cc2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)c(C)c2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)c(C)c2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2C)ccc1P.Cc1cc(-c2ccc(P)cc2)ccc1-c1cc(CP)cc(CP)c1.Cc1cc(-c2ccc(P)cc2)ccc1-c1ccc(CP)c(CP)c1.Cc1ccc(-c2ccc(-c3ccc(P)cc3C)cc2)c(C)c1
InChIInChI=1S/4C22H25P3.3C21H23P3.C21H21P/c1-14-9-19(12-23)20(13-24)11-21(14)17-5-3-16(4-6-17)18-7-8-22(25)15(2)10-18;2*1-14-9-16(17-6-8-22(25)15(2)10-17)5-7-21(14)18-3-4-19(12-23)20(11-18)13-24;1-14-9-16(17-3-4-19(12-23)20(11-17)13-24)5-7-21(14)18-6-8-22(25)15(2)10-18;1-14-8-18(17-2-5-20(24)6-3-17)4-7-21(14)19-10-15(12-22)9-16(11-19)13-23;1-14-10-17(8-9-21(14)24)15-2-4-16(5-3-15)18-6-7-19(12-22)20(11-18)13-23;1-14-10-16(15-4-7-20(24)8-5-15)6-9-21(14)17-2-3-18(12-22)19(11-17)13-23;1-14-4-10-20(15(2)12-14)17-5-7-18(8-6-17)21-11-9-19(22)13-16(21)3/h4*3-11H,12-13,23-25H2,1-2H3;3*2-11H,12-13,22-24H2,1H3;4-13H,22H2,1-3H3
InChIKeyUBQSGYKKJUXXAQ-UHFFFAOYSA-N
MW2938.84 g/mol
LogP45.74
Rot. Bonds30

About [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane

[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane (PubChem CID 161047242) has the molecular formula C172H190P22 and a molecular weight of 2938.84 g/mol. Its IUPAC name is [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
PubChem CID161047242
Molecular FormulaC172H190P22
Molecular Weight2938.84 g/mol
Exact Mass2936.91
IUPAC Name[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
SMILESCc1cc(-c2ccc(-c3cc(CP)c(CP)cc3C)cc2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)c(C)c2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)c(C)c2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2C)ccc1P.Cc1cc(-c2ccc(P)cc2)ccc1-c1cc(CP)cc(CP)c1.Cc1cc(-c2ccc(P)cc2)ccc1-c1ccc(CP)c(CP)c1.Cc1ccc(-c2ccc(-c3ccc(P)cc3C)cc2)c(C)c1
InChIInChI=1S/4C22H25P3.3C21H23P3.C21H21P/c1-14-9-19(12-23)20(13-24)11-21(14)17-5-3-16(4-6-17)18-7-8-22(25)15(2)10-18;2*1-14-9-16(17-6-8-22(25)15(2)10-17)5-7-21(14)18-3-4-19(12-23)20(11-18)13-24;1-14-9-16(17-3-4-19(12-23)20(11-17)13-24)5-7-21(14)18-6-8-22(25)15(2)10-18;1-14-8-18(17-2-5-20(24)6-3-17)4-7-21(14)19-10-15(12-22)9-16(11-19)13-23;1-14-10-17(8-9-21(14)24)15-2-4-16(5-3-15)18-6-7-19(12-22)20(11-18)13-23;1-14-10-16(15-4-7-20(24)8-5-15)6-9-21(14)17-2-3-18(12-22)19(11-17)13-23;1-14-4-10-20(15(2)12-14)17-5-7-18(8-6-17)21-11-9-19(22)13-16(21)3/h4*3-11H,12-13,23-25H2,1-2H3;3*2-11H,12-13,22-24H2,1H3;4-13H,22H2,1-3H3
InChIKeyUBQSGYKKJUXXAQ-UHFFFAOYSA-N
XLogP45.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms194
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002938.84
LogP ≤ 545.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
The IUPAC name of [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane (CID 161047242) is [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane.
What is the SMILES notation for [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
The canonical SMILES for [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane is Cc1cc(-c2ccc(-c3cc(CP)c(CP)cc3C)cc2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)c(C)c2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)c(C)c2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2)ccc1P.Cc1cc(-c2ccc(-c3ccc(CP)c(CP)c3)cc2C)ccc1P.Cc1cc(-c2ccc(P)cc2)ccc1-c1cc(CP)cc(CP)c1.Cc1cc(-c2ccc(P)cc2)ccc1-c1ccc(CP)c(CP)c1.Cc1ccc(-c2ccc(-c3ccc(P)cc3C)cc2)c(C)c1.
What is the InChIKey of [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
The InChIKey is UBQSGYKKJUXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H25P3.3C21H23P3.C21H21P/c1-14-9-19(12-23)20(13-24)11-21(14)17-5-3-16(4-6-17)18-7-8-22(25)15(2)10-18;2*1-14-9-16(17-6-8-22(25)15(2)10-17)5-7-21(14)18-3-4-19(12-23)20(11-18)13-24;1-14-9-16(17-3-4-19(12-23)20(11-17)13-24)5-7-21(14)18-6-8-22(25)15(2)10-18;1-14-8-18(17-2-5-20(24)6-3-17)4-7-21(14)19-10-15(12-22)9-16(11-19)13-23;1-14-10-17(8-9-21(14)24)15-2-4-16(5-3-15)18-6-7-19(12-22)20(11-18)13-23;1-14-10-16(15-4-7-20(24)8-5-15)6-9-21(14)17-2-3-18(12-22)19(11-17)13-23;1-14-4-10-20(15(2)12-14)17-5-7-18(8-6-17)21-11-9-19(22)13-16(21)3/h4*3-11H,12-13,23-25H2,1-2H3;3*2-11H,12-13,22-24H2,1H3;4-13H,22H2,1-3H3.
What are the key properties of [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane has a molecular weight of 2938.84 g/mol, XLogP of 45.74, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane is sourced from PubChem (CID 161047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).