methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)

C136H152O14P2 — CID 157113366

IUPACmethane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)
SMILESC.C.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(C(c2ccc(OC)cc2)(c2ccc(Oc3c(C)cc(C)cc3C)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.COc1ccc(C(c2ccc(O)cc2)(c2ccc(Oc3c(C)cc(C)cc3C)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C45H39O6P.C41H35O5P.2C10H16.2C10H14.C8H10O3.2CH4/c1-29(2)44(46)50-38-25-19-35(20-26-38)45(33-15-21-36(48-6)22-16-33,34-17-23-37(24-18-34)49-43-31(4)27-30(3)28-32(43)5)52(47)42-14-10-8-12-40(42)39-11-7-9-13-41(39)51-52;1-27-25-28(2)40(29(3)26-27)45-35-23-17-32(18-24-35)41(30-13-19-33(42)20-14-30,31-15-21-34(44-4)22-16-31)47(43)39-12-8-6-10-37(39)36-9-5-7-11-38(36)46-47;2*1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-7-5-8(2)10(4)9(3)6-7;1-5(2)7(9)11-8(10)6(3)4;;/h7-28H,1H2,2-6H3;5-26,42H,1-4H3;2*7-10H,1-6H2;2*5-6H,1-4H3;1,3H2,2,4H3;2*1H4
InChIKeyAHCKOLSOEBEKMD-UHFFFAOYSA-N
MW2072.65 g/mol
LogP34.91
Rot. Bonds18

About methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)

methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane) (PubChem CID 157113366) has the molecular formula C136H152O14P2 and a molecular weight of 2072.65 g/mol. Its IUPAC name is methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane).

Molecular Properties

Compound Namemethane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)
PubChem CID157113366
Molecular FormulaC136H152O14P2
Molecular Weight2072.65 g/mol
Exact Mass2071.07
IUPAC Namemethane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)
SMILESC.C.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(C(c2ccc(OC)cc2)(c2ccc(Oc3c(C)cc(C)cc3C)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.COc1ccc(C(c2ccc(O)cc2)(c2ccc(Oc3c(C)cc(C)cc3C)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C45H39O6P.C41H35O5P.2C10H16.2C10H14.C8H10O3.2CH4/c1-29(2)44(46)50-38-25-19-35(20-26-38)45(33-15-21-36(48-6)22-16-33,34-17-23-37(24-18-34)49-43-31(4)27-30(3)28-32(43)5)52(47)42-14-10-8-12-40(42)39-11-7-9-13-41(39)51-52;1-27-25-28(2)40(29(3)26-27)45-35-23-17-32(18-24-35)41(30-13-19-33(42)20-14-30,31-15-21-34(44-4)22-16-31)47(43)39-12-8-6-10-37(39)36-9-5-7-11-38(36)46-47;2*1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-7-5-8(2)10(4)9(3)6-7;1-5(2)7(9)11-8(10)6(3)4;;/h7-28H,1H2,2-6H3;5-26,42H,1-4H3;2*7-10H,1-6H2;2*5-6H,1-4H3;1,3H2,2,4H3;2*1H4
InChIKeyAHCKOLSOEBEKMD-UHFFFAOYSA-N
XLogP34.91
TPSA179.42 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.65
LogP ≤ 534.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane) with MolForge

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Related Compounds

[4-[(4-methoxyphenyl)-(5-oxo-6H-phosphanthridin-5-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] acetate;1,2,3,5-tetramethylbenzene;tricyclo[5.2.1.02,6]decane
CID 159272430
4-[(4-methoxyphenyl)-(5-oxo-6H-phosphanthridin-5-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol
CID 140960945
4-[1-(4-methoxyphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 146390169
[4-[[4-[4-[2-[4-[4-[4-[3,5-dimethyl-4-[2-methyl-1-[4-[4-[[4-(2-methylprop-2-enoyloxy)-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methyl]phenyl]phenyl]propan-2-yl]oxyphenoxy]-2,3,5-trimethylphenyl]-2,3,6-trimethylphenoxy]-2,6-dimethylphenoxy]-2-methylpropyl]phenyl]phenyl]methoxy]-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl] 2-methylprop-2-enoate
CID 126736465
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene
CID 159970740
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
CID 146664163
[4-[4-(2,4-dimethylphenyl)-N-[4-[2-[4-[4-(2,4-dimethylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]propan-2-yl]phenyl]anilino]phenyl] 2-methylprop-2-enoate
CID 58205422
(10-phenoxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl) 2-methylprop-2-enoate
CID 163406847

Frequently Asked Questions

What is the IUPAC name of methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)?
The IUPAC name of methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane) (CID 157113366) is methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane).
What is the SMILES notation for methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)?
The canonical SMILES for methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane) is C.C.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(C(c2ccc(OC)cc2)(c2ccc(Oc3c(C)cc(C)cc3C)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.COc1ccc(C(c2ccc(O)cc2)(c2ccc(Oc3c(C)cc(C)cc3C)cc2)P2(=O)Oc3ccccc3-c3ccccc32)cc1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.
What is the InChIKey of methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)?
The InChIKey is AHCKOLSOEBEKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39O6P.C41H35O5P.2C10H16.2C10H14.C8H10O3.2CH4/c1-29(2)44(46)50-38-25-19-35(20-26-38)45(33-15-21-36(48-6)22-16-33,34-17-23-37(24-18-34)49-43-31(4)27-30(3)28-32(43)5)52(47)42-14-10-8-12-40(42)39-11-7-9-13-41(39)51-52;1-27-25-28(2)40(29(3)26-27)45-35-23-17-32(18-24-35)41(30-13-19-33(42)20-14-30,31-15-21-34(44-4)22-16-31)47(43)39-12-8-6-10-37(39)36-9-5-7-11-38(36)46-47;2*1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-7-5-8(2)10(4)9(3)6-7;1-5(2)7(9)11-8(10)6(3)4;;/h7-28H,1H2,2-6H3;5-26,42H,1-4H3;2*7-10H,1-6H2;2*5-6H,1-4H3;1,3H2,2,4H3;2*1H4.
What are the key properties of methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane)?
methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane) has a molecular weight of 2072.65 g/mol, XLogP of 34.91, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenol;[4-[(4-methoxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-[4-(2,4,6-trimethylphenoxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate;bis(1,2,3,5-tetramethylbenzene);bis(tricyclo[5.2.1.02,6]decane) is sourced from PubChem (CID 157113366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).