N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene

C141H126F3N3O9P6 — CID 161158863

IUPACN-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene
SMILESCC(=O)Nc1cccc(P(=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1.Cc1cc(C)c(P(=O)(c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H23OP.C24H24N3O4P.C24H19OP.C24H27OP.C21H21OP.C18H12F3OP/c31-32(28-14-8-3-9-15-28,29-20-16-26(17-21-29)24-10-4-1-5-11-24)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-16(28)25-19-7-4-10-22(13-19)32(31,23-11-5-8-20(14-23)26-17(2)29)24-12-6-9-21(15-24)27-18(3)30;25-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)20-10-4-1-5-11-20;1-16-12-18(3)23(19(4)13-16)26(25,22-10-8-7-9-11-22)24-20(5)14-17(2)15-21(24)6;1-16-14-17(2)21(18(3)15-16)23(22,19-10-6-4-7-11-19)20-12-8-5-9-13-20;19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-23H;4-15H,1-3H3,(H,25,28)(H,26,29)(H,27,30);1-19H;7-15H,1-6H3;4-15H,1-3H3;1-12H
InChIKeyUPQVPPNUHFIJCD-UHFFFAOYSA-N
MW2249.41 g/mol
LogP28.03
Rot. Bonds24

About N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene

N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene (PubChem CID 161158863) has the molecular formula C141H126F3N3O9P6 and a molecular weight of 2249.41 g/mol. Its IUPAC name is N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene.

Molecular Properties

Compound NameN-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene
PubChem CID161158863
Molecular FormulaC141H126F3N3O9P6
Molecular Weight2249.41 g/mol
Exact Mass2247.79
IUPAC NameN-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene
SMILESCC(=O)Nc1cccc(P(=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1.Cc1cc(C)c(P(=O)(c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H23OP.C24H24N3O4P.C24H19OP.C24H27OP.C21H21OP.C18H12F3OP/c31-32(28-14-8-3-9-15-28,29-20-16-26(17-21-29)24-10-4-1-5-11-24)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-16(28)25-19-7-4-10-22(13-19)32(31,23-11-5-8-20(14-23)26-17(2)29)24-12-6-9-21(15-24)27-18(3)30;25-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)20-10-4-1-5-11-20;1-16-12-18(3)23(19(4)13-16)26(25,22-10-8-7-9-11-22)24-20(5)14-17(2)15-21(24)6;1-16-14-17(2)21(18(3)15-16)23(22,19-10-6-4-7-11-19)20-12-8-5-9-13-20;19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-23H;4-15H,1-3H3,(H,25,28)(H,26,29)(H,27,30);1-19H;7-15H,1-6H3;4-15H,1-3H3;1-12H
InChIKeyUPQVPPNUHFIJCD-UHFFFAOYSA-N
XLogP28.03
TPSA189.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002249.41
LogP ≤ 528.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene with MolForge

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Related Compounds

N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-(4-phenylphenyl)acetamide
CID 19998
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide
CID 160994901
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
N-phenylacetamide;toluene
CID 175205531
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene?
The IUPAC name of N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene (CID 161158863) is N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene.
What is the SMILES notation for N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene?
The canonical SMILES for N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene is CC(=O)Nc1cccc(P(=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1.Cc1cc(C)c(P(=O)(c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c(P(=O)(c2ccccc2)c2ccccc2)c(C)c1.O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene?
The InChIKey is UPQVPPNUHFIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23OP.C24H24N3O4P.C24H19OP.C24H27OP.C21H21OP.C18H12F3OP/c31-32(28-14-8-3-9-15-28,29-20-16-26(17-21-29)24-10-4-1-5-11-24)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-16(28)25-19-7-4-10-22(13-19)32(31,23-11-5-8-20(14-23)26-17(2)29)24-12-6-9-21(15-24)27-18(3)30;25-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)20-10-4-1-5-11-20;1-16-12-18(3)23(19(4)13-16)26(25,22-10-8-7-9-11-22)24-20(5)14-17(2)15-21(24)6;1-16-14-17(2)21(18(3)15-16)23(22,19-10-6-4-7-11-19)20-12-8-5-9-13-20;19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-23H;4-15H,1-3H3,(H,25,28)(H,26,29)(H,27,30);1-19H;7-15H,1-6H3;4-15H,1-3H3;1-12H.
What are the key properties of N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene?
N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene has a molecular weight of 2249.41 g/mol, XLogP of 28.03, 24 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene is sourced from PubChem (CID 161158863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).