4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide

C139H169N9O9 — CID 157388843

IUPAC4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide
SMILESCCCCN(C(=O)C1CCCCC1)C1CCCCC1.CCCN(C(=O)C1CCCCC1)C1CCCCC1.CCN(C(=O)C1CCCCC1)C1CCCCC1.CN(C(=O)C1CCCCC1)C1CCCCC1.O=C(c1ccc(C(=O)N(c2ccccc2)c2ccccc2)c(C(=O)N(c2ccccc2)c2ccccc2)c1)N(c1ccccc1)c1ccccc1.O=C(c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H33N3O3.C32H24N2O2.C17H31NO.C16H29NO.C15H27NO.C14H25NO/c49-43(46(35-19-7-1-8-20-35)36-21-9-2-10-22-36)34-31-32-41(44(50)47(37-23-11-3-12-24-37)38-25-13-4-14-26-38)42(33-34)45(51)48(39-27-15-5-16-28-39)40-29-17-6-18-30-40;35-31(25-13-5-1-6-14-25)34(29-19-11-4-12-20-29)30-23-21-26(22-24-30)32(36)33(27-15-7-2-8-16-27)28-17-9-3-10-18-28;1-2-3-14-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15;1-2-13-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h1-33H;1-24H;15-16H,2-14H2,1H3;14-15H,2-13H2,1H3;13-14H,2-12H2,1H3;12-13H,2-11H2,1H3
InChIKeyBLTHGFBFTXYPFH-UHFFFAOYSA-N
MW2109.93 g/mol
LogP34.04
Rot. Bonds29

About 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide

4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide (PubChem CID 157388843) has the molecular formula C139H169N9O9 and a molecular weight of 2109.93 g/mol. Its IUPAC name is 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide.

Molecular Properties

Compound Name4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide
PubChem CID157388843
Molecular FormulaC139H169N9O9
Molecular Weight2109.93 g/mol
Exact Mass2108.30
IUPAC Name4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide
SMILESCCCCN(C(=O)C1CCCCC1)C1CCCCC1.CCCN(C(=O)C1CCCCC1)C1CCCCC1.CCN(C(=O)C1CCCCC1)C1CCCCC1.CN(C(=O)C1CCCCC1)C1CCCCC1.O=C(c1ccc(C(=O)N(c2ccccc2)c2ccccc2)c(C(=O)N(c2ccccc2)c2ccccc2)c1)N(c1ccccc1)c1ccccc1.O=C(c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H33N3O3.C32H24N2O2.C17H31NO.C16H29NO.C15H27NO.C14H25NO/c49-43(46(35-19-7-1-8-20-35)36-21-9-2-10-22-36)34-31-32-41(44(50)47(37-23-11-3-12-24-37)38-25-13-4-14-26-38)42(33-34)45(51)48(39-27-15-5-16-28-39)40-29-17-6-18-30-40;35-31(25-13-5-1-6-14-25)34(29-19-11-4-12-20-29)30-23-21-26(22-24-30)32(36)33(27-15-7-2-8-16-27)28-17-9-3-10-18-28;1-2-3-14-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15;1-2-13-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h1-33H;1-24H;15-16H,2-14H2,1H3;14-15H,2-13H2,1H3;13-14H,2-12H2,1H3;12-13H,2-11H2,1H3
InChIKeyBLTHGFBFTXYPFH-UHFFFAOYSA-N
XLogP34.04
TPSA182.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002109.93
LogP ≤ 534.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide?
The IUPAC name of 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide (CID 157388843) is 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide.
What is the SMILES notation for 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide?
The canonical SMILES for 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide is CCCCN(C(=O)C1CCCCC1)C1CCCCC1.CCCN(C(=O)C1CCCCC1)C1CCCCC1.CCN(C(=O)C1CCCCC1)C1CCCCC1.CN(C(=O)C1CCCCC1)C1CCCCC1.O=C(c1ccc(C(=O)N(c2ccccc2)c2ccccc2)c(C(=O)N(c2ccccc2)c2ccccc2)c1)N(c1ccccc1)c1ccccc1.O=C(c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide?
The InChIKey is BLTHGFBFTXYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3O3.C32H24N2O2.C17H31NO.C16H29NO.C15H27NO.C14H25NO/c49-43(46(35-19-7-1-8-20-35)36-21-9-2-10-22-36)34-31-32-41(44(50)47(37-23-11-3-12-24-37)38-25-13-4-14-26-38)42(33-34)45(51)48(39-27-15-5-16-28-39)40-29-17-6-18-30-40;35-31(25-13-5-1-6-14-25)34(29-19-11-4-12-20-29)30-23-21-26(22-24-30)32(36)33(27-15-7-2-8-16-27)28-17-9-3-10-18-28;1-2-3-14-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15;1-2-13-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h1-33H;1-24H;15-16H,2-14H2,1H3;14-15H,2-13H2,1H3;13-14H,2-12H2,1H3;12-13H,2-11H2,1H3.
What are the key properties of 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide?
4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide has a molecular weight of 2109.93 g/mol, XLogP of 34.04, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-benzoylanilino)-N,N-diphenylbenzamide;N-butyl-N-cyclohexylcyclohexanecarboxamide;N-cyclohexyl-N-ethylcyclohexanecarboxamide;N-cyclohexyl-N-methylcyclohexanecarboxamide;N-cyclohexyl-N-propylcyclohexanecarboxamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide is sourced from PubChem (CID 157388843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).