4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone

C116H106N10O3 — CID 160876060

IUPAC4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone
SMILESC/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(=O)C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.CN1CCC(C(=O)C/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1.O=C(C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O.C27H22N2O.C22H20N2O.C20H18N2.C20H17N/c1-29-18-16-23(17-19-29)27(31)21-28-20-22-12-14-26(15-13-22)30(24-8-4-2-5-9-24)25-10-6-3-7-11-25;30-27(23-10-4-1-5-11-23)21-28-20-22-16-18-26(19-17-22)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25;1-18(25)16-23-17-19-12-14-22(15-13-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-21-16-17-12-14-20(15-13-17)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-15,20,23H,16-19,21H2,1H3;1-20H,21H2;2-15,17H,16H2,1H3;2-16H,1H3;2-16H,1H2/b2*28-20+;23-17+;21-16+;
InChIKeySMKDUDCXZKNCRT-BSPHGYGJSA-N
MW1688.19 g/mol
LogP28.11
Rot. Bonds28

About 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone

4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone (PubChem CID 160876060) has the molecular formula C116H106N10O3 and a molecular weight of 1688.19 g/mol. Its IUPAC name is 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone.

Molecular Properties

Compound Name4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone
PubChem CID160876060
Molecular FormulaC116H106N10O3
Molecular Weight1688.19 g/mol
Exact Mass1686.84
IUPAC Name4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone
SMILESC/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(=O)C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.CN1CCC(C(=O)C/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1.O=C(C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O.C27H22N2O.C22H20N2O.C20H18N2.C20H17N/c1-29-18-16-23(17-19-29)27(31)21-28-20-22-12-14-26(15-13-22)30(24-8-4-2-5-9-24)25-10-6-3-7-11-25;30-27(23-10-4-1-5-11-23)21-28-20-22-16-18-26(19-17-22)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25;1-18(25)16-23-17-19-12-14-22(15-13-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-21-16-17-12-14-20(15-13-17)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-15,20,23H,16-19,21H2,1H3;1-20H,21H2;2-15,17H,16H2,1H3;2-16H,1H3;2-16H,1H2/b2*28-20+;23-17+;21-16+;
InChIKeySMKDUDCXZKNCRT-BSPHGYGJSA-N
XLogP28.11
TPSA120.09 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001688.19
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone?
The IUPAC name of 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone (CID 160876060) is 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone.
What is the SMILES notation for 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone?
The canonical SMILES for 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone is C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(=O)C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.CN1CCC(C(=O)C/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC1.O=C(C/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone?
The InChIKey is SMKDUDCXZKNCRT-BSPHGYGJSA-N. The full InChI is InChI=1S/C27H29N3O.C27H22N2O.C22H20N2O.C20H18N2.C20H17N/c1-29-18-16-23(17-19-29)27(31)21-28-20-22-12-14-26(15-13-22)30(24-8-4-2-5-9-24)25-10-6-3-7-11-25;30-27(23-10-4-1-5-11-23)21-28-20-22-16-18-26(19-17-22)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25;1-18(25)16-23-17-19-12-14-22(15-13-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-21-16-17-12-14-20(15-13-17)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-15,20,23H,16-19,21H2,1H3;1-20H,21H2;2-15,17H,16H2,1H3;2-16H,1H3;2-16H,1H2/b2*28-20+;23-17+;21-16+;.
What are the key properties of 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone?
4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone has a molecular weight of 1688.19 g/mol, XLogP of 28.11, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-diphenylaniline;4-(methyliminomethyl)-N,N-diphenylaniline;1-(1-methylpiperidin-4-yl)-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone;1-[[4-(N-phenylanilino)phenyl]methylideneamino]propan-2-one;1-phenyl-2-[[4-(N-phenylanilino)phenyl]methylideneamino]ethanone is sourced from PubChem (CID 160876060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).