N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate

C130H110N6O4 — CID 162000453

About N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate

N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 162000453) has the molecular formula C130H110N6O4 and a molecular weight of 1820.35 g/mol. Its IUPAC name is N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate
• PubChem CID: 162000453
• Molecular Formula: C130H110N6O4
• Molecular Weight: 1820.35 g/mol
• Exact Mass: 1818.86
• IUPAC Name: N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(CCOC(=O)C(=C)C)c3)cc2)c1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C=C)cc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
• InChI: InChI=1S/C48H36N2.C42H40N2O4.C40H34N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48;1-31(2)41(45)47-27-25-33-13-11-19-39(29-33)43(35-15-7-5-8-16-35)37-21-23-38(24-22-37)44(36-17-9-6-10-18-36)40-20-12-14-34(30-40)26-28-48-42(46)32(3)4;1-4-32-16-22-36(23-17-32)42(40-15-9-11-31(3)29-40)38-26-20-34(21-27-38)33-18-24-37(25-19-33)41(35-12-6-5-7-13-35)39-14-8-10-30(2)28-39/h3-34H,1-2H2;5-24,29-30H,1,3,25-28H2,2,4H3;4-29H,1H2,2-3H3
• InChIKey: YSDGMVPLBGVHNX-UHFFFAOYSA-N
• XLogP: 35.39
• TPSA: 72.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1820.35
LogP ≤ 5	35.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate?

The IUPAC name of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate (CID 162000453) is N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate?

The canonical SMILES for N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(CCOC(=O)C(=C)C)c3)cc2)c1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C=C)cc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.C=Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1.

What is the InChIKey of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate?

The InChIKey is YSDGMVPLBGVHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2.C42H40N2O4.C40H34N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48;1-31(2)41(45)47-27-25-33-13-11-19-39(29-33)43(35-15-7-5-8-16-35)37-21-23-38(24-22-37)44(36-17-9-6-10-18-36)40-20-12-14-34(30-40)26-28-48-42(46)32(3)4;1-4-32-16-22-36(23-17-32)42(40-15-9-11-31(3)29-40)38-26-20-34(21-27-38)33-18-24-37(25-19-33)41(35-12-6-5-7-13-35)39-14-8-10-30(2)28-39/h3-34H,1-2H2;5-24,29-30H,1,3,25-28H2,2,4H3;4-29H,1H2,2-3H3.

What are the key properties of N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate?

N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 1820.35 g/mol, XLogP of 35.39, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine;2-[3-(N-[4-(N-[3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]anilino)phenyl]anilino)phenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 162000453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).