(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate

C77H77N7O16P4 — CID 157395904

IUPAC(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate
SMILESCc1ccc(OP(=O)(Oc2ccc(N)cc2)Oc2c(C)cccc2C)cc1.Cc1cccc(C)c1OP(=O)(Oc1cccc(N)c1)Oc1cccc(N)c1.Nc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(N)cc2)cc1.Nc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(N)c2)c1
InChIInChI=1S/C21H22NO4P.C20H21N2O4P.2C18H17N2O4P/c1-15-7-11-19(12-8-15)24-27(23,25-20-13-9-18(22)10-14-20)26-21-16(2)5-4-6-17(21)3;1-14-6-3-7-15(2)20(14)26-27(23,24-18-10-4-8-16(21)12-18)25-19-11-5-9-17(22)13-19;19-14-6-4-10-17(12-14)23-25(21,22-16-8-2-1-3-9-16)24-18-11-5-7-15(20)13-18;19-14-6-10-17(11-7-14)23-25(21,22-16-4-2-1-3-5-16)24-18-12-8-15(20)9-13-18/h4-14H,22H2,1-3H3;3-13H,21-22H2,1-2H3;2*1-13H,19-20H2
InChIKeyBMOKIRNQGPCMJX-UHFFFAOYSA-N
MW1480.39 g/mol
LogP19.94
Rot. Bonds24

About (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate

(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate (PubChem CID 157395904) has the molecular formula C77H77N7O16P4 and a molecular weight of 1480.39 g/mol. Its IUPAC name is (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate.

Molecular Properties

Compound Name(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate
PubChem CID157395904
Molecular FormulaC77H77N7O16P4
Molecular Weight1480.39 g/mol
Exact Mass1479.44
IUPAC Name(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate
SMILESCc1ccc(OP(=O)(Oc2ccc(N)cc2)Oc2c(C)cccc2C)cc1.Cc1cccc(C)c1OP(=O)(Oc1cccc(N)c1)Oc1cccc(N)c1.Nc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(N)cc2)cc1.Nc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(N)c2)c1
InChIInChI=1S/C21H22NO4P.C20H21N2O4P.2C18H17N2O4P/c1-15-7-11-19(12-8-15)24-27(23,25-20-13-9-18(22)10-14-20)26-21-16(2)5-4-6-17(21)3;1-14-6-3-7-15(2)20(14)26-27(23,24-18-10-4-8-16(21)12-18)25-19-11-5-9-17(22)13-19;19-14-6-4-10-17(12-14)23-25(21,22-16-8-2-1-3-9-16)24-18-11-5-7-15(20)13-18;19-14-6-10-17(11-7-14)23-25(21,22-16-4-2-1-3-5-16)24-18-12-8-15(20)9-13-18/h4-14H,22H2,1-3H3;3-13H,21-22H2,1-2H3;2*1-13H,19-20H2
InChIKeyBMOKIRNQGPCMJX-UHFFFAOYSA-N
XLogP19.94
TPSA361.18 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001480.39
LogP ≤ 519.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate with MolForge

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Related Compounds

[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl] bis(2,6-dimethylphenyl) phosphate
CID 15789016
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
[4-[2-[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl]propan-2-yl]phenyl] bis(2,6-dimethylphenyl) phosphate;ethane
CID 91386921
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288
bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
CID 66990758

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate?
The IUPAC name of (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate (CID 157395904) is (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate.
What is the SMILES notation for (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate?
The canonical SMILES for (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate is Cc1ccc(OP(=O)(Oc2ccc(N)cc2)Oc2c(C)cccc2C)cc1.Cc1cccc(C)c1OP(=O)(Oc1cccc(N)c1)Oc1cccc(N)c1.Nc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(N)cc2)cc1.Nc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(N)c2)c1.
What is the InChIKey of (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate?
The InChIKey is BMOKIRNQGPCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO4P.C20H21N2O4P.2C18H17N2O4P/c1-15-7-11-19(12-8-15)24-27(23,25-20-13-9-18(22)10-14-20)26-21-16(2)5-4-6-17(21)3;1-14-6-3-7-15(2)20(14)26-27(23,24-18-10-4-8-16(21)12-18)25-19-11-5-9-17(22)13-19;19-14-6-4-10-17(12-14)23-25(21,22-16-8-2-1-3-9-16)24-18-11-5-7-15(20)13-18;19-14-6-10-17(11-7-14)23-25(21,22-16-4-2-1-3-5-16)24-18-12-8-15(20)9-13-18/h4-14H,22H2,1-3H3;3-13H,21-22H2,1-2H3;2*1-13H,19-20H2.
What are the key properties of (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate?
(4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate has a molecular weight of 1480.39 g/mol, XLogP of 19.94, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) (2,6-dimethylphenyl) (4-methylphenyl) phosphate;bis(3-aminophenyl) (2,6-dimethylphenyl) phosphate;bis(3-aminophenyl) phenyl phosphate;bis(4-aminophenyl) phenyl phosphate is sourced from PubChem (CID 157395904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).