1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine

C136H124N6O2 — CID 161023086

About 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine

1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine (PubChem CID 161023086) has the molecular formula C136H124N6O2 and a molecular weight of 1874.53 g/mol. Its IUPAC name is 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine.

Molecular Properties

• Compound Name: 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine
• PubChem CID: 161023086
• Molecular Formula: C136H124N6O2
• Molecular Weight: 1874.53 g/mol
• Exact Mass: 1872.98
• IUPAC Name: 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine
• SMILES: C/C(=N\c1ccccc1)c1cc(C)ccc1C.C/N=C(\c1ccccc1)c1cc(C)ccc1C.CN=C(c1ccc(C)cc1)c1ccc(C)cc1.CN=C(c1cccc(C)c1)c1cccc(C)c1.Cc1ccc(C(=Nc2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)c(=O)c1cccc3c1c2c1cccc2c(=O)c4cc(C)ccc4c3c21.Cc1cccc(C(=Nc2ccccc2)c2cccc(C)c2)c1
• InChI: InChI=1S/C30H18O2.2C21H19N.4C16H17N/c1-15-9-11-17-23(13-15)29(31)21-7-3-6-20-26-18-12-10-16(2)14-24(18)30(32)22-8-4-5-19(28(22)26)25(17)27(20)21;1-16-8-6-10-18(14-16)21(19-11-7-9-17(2)15-19)22-20-12-4-3-5-13-20;1-16-8-12-18(13-9-16)21(19-14-10-17(2)11-15-19)22-20-6-4-3-5-7-20;1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15;1-12-6-4-8-14(10-12)16(17-3)15-9-5-7-13(2)11-15;1-12-9-10-13(2)15(11-12)16(17-3)14-7-5-4-6-8-14;1-12-9-10-13(2)16(11-12)14(3)17-15-7-5-4-6-8-15/h3-14H,1-2H3;2*3-15H,1-2H3;4*4-11H,1-3H3/b;;;;;17-16+;17-14+
• InChIKey: TYQAXSFDJICSNI-BYYFWWTJSA-N
• XLogP: 33.52
• TPSA: 108.30 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1874.53
LogP ≤ 5	33.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine?

The IUPAC name of 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine (CID 161023086) is 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine.

What is the SMILES notation for 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine?

The canonical SMILES for 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine is C/C(=N\c1ccccc1)c1cc(C)ccc1C.C/N=C(\c1ccccc1)c1cc(C)ccc1C.CN=C(c1ccc(C)cc1)c1ccc(C)cc1.CN=C(c1cccc(C)c1)c1cccc(C)c1.Cc1ccc(C(=Nc2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)c(=O)c1cccc3c1c2c1cccc2c(=O)c4cc(C)ccc4c3c21.Cc1cccc(C(=Nc2ccccc2)c2cccc(C)c2)c1.

What is the InChIKey of 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine?

The InChIKey is TYQAXSFDJICSNI-BYYFWWTJSA-N. The full InChI is InChI=1S/C30H18O2.2C21H19N.4C16H17N/c1-15-9-11-17-23(13-15)29(31)21-7-3-6-20-26-18-12-10-16(2)14-24(18)30(32)22-8-4-5-19(28(22)26)25(17)27(20)21;1-16-8-6-10-18(14-16)21(19-11-7-9-17(2)15-19)22-20-12-4-3-5-13-20;1-16-8-12-18(13-9-16)21(19-14-10-17(2)11-15-19)22-20-6-4-3-5-7-20;1-12-4-8-14(9-5-12)16(17-3)15-10-6-13(2)7-11-15;1-12-6-4-8-14(10-12)16(17-3)15-9-5-7-13(2)11-15;1-12-9-10-13(2)15(11-12)16(17-3)14-7-5-4-6-8-14;1-12-9-10-13(2)16(11-12)14(3)17-15-7-5-4-6-8-15/h3-14H,1-2H3;2*3-15H,1-2H3;4*4-11H,1-3H3/b;;;;;17-16+;17-14+.

What are the key properties of 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine?

1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine has a molecular weight of 1874.53 g/mol, XLogP of 33.52, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-bis(3-methylphenyl)-N-phenylmethanimine;1,1-bis(4-methylphenyl)-N-phenylmethanimine;6,19-dimethylheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16(21),17,19,23,25-tridecaene-9,22-dione;1-(2,5-dimethylphenyl)-N-methyl-1-phenylmethanimine;1-(2,5-dimethylphenyl)-N-phenylethanimine;N-methyl-1,1-bis(3-methylphenyl)methanimine;N-methyl-1,1-bis(4-methylphenyl)methanimine is sourced from PubChem (CID 161023086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).