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

C105H115P15 — CID 157166145

IUPAC[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
SMILESCc1cc(-c2ccc(P)cc2)cc(-c2ccc(CP)c(CP)c2)c1.Cc1cc(-c2ccc(P)cc2)cc(-c2ccc(CP)c(CP)c2)c1.Cc1cc(P)ccc1-c1ccc(C)c(-c2ccc(CP)c(CP)c2)c1.Cc1ccc(-c2ccc(CP)c(CP)c2)cc1-c1ccc(P)cc1.PCc1ccc(-c2cccc(-c3ccc(P)cc3)c2)cc1CP
InChIInChI=1S/C22H25P3.3C21H23P3.C20H21P3/c1-14-3-4-17(21-8-7-20(25)9-15(21)2)11-22(14)16-5-6-18(12-23)19(10-16)13-24;2*1-14-8-18(15-4-6-21(24)7-5-15)11-19(9-14)16-2-3-17(12-22)20(10-16)13-23;1-14-2-3-17(11-21(14)15-6-8-20(24)9-7-15)16-4-5-18(12-22)19(10-16)13-23;21-12-18-5-4-17(11-19(18)13-22)16-3-1-2-15(10-16)14-6-8-20(23)9-7-14/h3-11H,12-13,23-25H2,1-2H3;3*2-11H,12-13,22-24H2,1H3;1-11H,12-13,21-23H2
InChIKeyAMXYKEBYCLYSDP-UHFFFAOYSA-N
MW1841.68 g/mol
LogP27.90
Rot. Bonds20

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

[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane (PubChem CID 157166145) has the molecular formula C105H115P15 and a molecular weight of 1841.68 g/mol. Its IUPAC name is [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
PubChem CID157166145
Molecular FormulaC105H115P15
Molecular Weight1841.68 g/mol
Exact Mass1840.51
IUPAC Name[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
SMILESCc1cc(-c2ccc(P)cc2)cc(-c2ccc(CP)c(CP)c2)c1.Cc1cc(-c2ccc(P)cc2)cc(-c2ccc(CP)c(CP)c2)c1.Cc1cc(P)ccc1-c1ccc(C)c(-c2ccc(CP)c(CP)c2)c1.Cc1ccc(-c2ccc(CP)c(CP)c2)cc1-c1ccc(P)cc1.PCc1ccc(-c2cccc(-c3ccc(P)cc3)c2)cc1CP
InChIInChI=1S/C22H25P3.3C21H23P3.C20H21P3/c1-14-3-4-17(21-8-7-20(25)9-15(21)2)11-22(14)16-5-6-18(12-23)19(10-16)13-24;2*1-14-8-18(15-4-6-21(24)7-5-15)11-19(9-14)16-2-3-17(12-22)20(10-16)13-23;1-14-2-3-17(11-21(14)15-6-8-20(24)9-7-15)16-4-5-18(12-22)19(10-16)13-23;21-12-18-5-4-17(11-19(18)13-22)16-3-1-2-15(10-16)14-6-8-20(23)9-7-14/h3-11H,12-13,23-25H2,1-2H3;3*2-11H,12-13,22-24H2,1H3;1-11H,12-13,21-23H2
InChIKeyAMXYKEBYCLYSDP-UHFFFAOYSA-N
XLogP27.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001841.68
LogP ≤ 527.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Related Compounds

[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]-2-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]phenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
CID 158904995
[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]-2-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]phenyl]methylphosphane;[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]methylphosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]methylphosphane
CID 162182927
[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-3-methylphenyl]phosphane
CID 129088137
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-[3-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[2-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 158779999
[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
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-[3-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[2-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[2-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 158130449
[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 126518534
1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-2-phenyl-4-(4-phenylphenyl)benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 159186914
bis([4-(3,4-dimethylphenyl)-2-methylphenyl]phosphane);[4-(3,4-dimethylphenyl)-3-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-2-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-3-methylphenyl]phosphane;[4-(2,4-dimethylphenyl)phenyl]phosphane;[4-(3,4-dimethylphenyl)phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(3-methyl-4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 158094684
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-3-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(3-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(2-phenylphenyl)phenyl]benzene
CID 161087634
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene
CID 161146851
1-methyl-2-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-2-phenyl-4-(4-phenylphenyl)benzene;1-methyl-3-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-4-phenyl-2-(4-phenylphenyl)benzene
CID 158610806

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
The IUPAC name of [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane (CID 157166145) is [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane.
What is the SMILES notation for [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
The canonical SMILES for [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane is Cc1cc(-c2ccc(P)cc2)cc(-c2ccc(CP)c(CP)c2)c1.Cc1cc(-c2ccc(P)cc2)cc(-c2ccc(CP)c(CP)c2)c1.Cc1cc(P)ccc1-c1ccc(C)c(-c2ccc(CP)c(CP)c2)c1.Cc1ccc(-c2ccc(CP)c(CP)c2)cc1-c1ccc(P)cc1.PCc1ccc(-c2cccc(-c3ccc(P)cc3)c2)cc1CP.
What is the InChIKey of [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
The InChIKey is AMXYKEBYCLYSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25P3.3C21H23P3.C20H21P3/c1-14-3-4-17(21-8-7-20(25)9-15(21)2)11-22(14)16-5-6-18(12-23)19(10-16)13-24;2*1-14-8-18(15-4-6-21(24)7-5-15)11-19(9-14)16-2-3-17(12-22)20(10-16)13-23;1-14-2-3-17(11-21(14)15-6-8-20(24)9-7-15)16-4-5-18(12-22)19(10-16)13-23;21-12-18-5-4-17(11-19(18)13-22)16-3-1-2-15(10-16)14-6-8-20(23)9-7-14/h3-11H,12-13,23-25H2,1-2H3;3*2-11H,12-13,22-24H2,1H3;1-11H,12-13,21-23H2.
What are the key properties of [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane?
[4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane has a molecular weight of 1841.68 g/mol, XLogP of 27.90, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3,4-bis(phosphanylmethyl)phenyl]-4-methylphenyl]-3-methylphenyl]phosphane;bis([4-[3-[3,4-bis(phosphanylmethyl)phenyl]-5-methylphenyl]phenyl]phosphane);[4-[5-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]phenyl]phosphane;[4-[3-[3,4-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane is sourced from PubChem (CID 157166145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).