3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline

C153H136N4 — CID 158207385

About 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline

3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 158207385) has the molecular formula C153H136N4 and a molecular weight of 2030.80 g/mol. Its IUPAC name is 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 158207385
• Molecular Formula: C153H136N4
• Molecular Weight: 2030.80 g/mol
• Exact Mass: 2029.08
• IUPAC Name: 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3ccc(N(C)c4cccc(-c5ccc6c(c5)CC6)c4)cc3)c3ccccc23)cc1.Cc1ccc(-c2cc(-c3ccc(N(C)c4cccc(-c5ccc6c(c5)CC6)c4)cc3)cc(-c3cccc(-c4ccccc4)c3)c2)cc1.Cc1ccc(-c2ccc(N(C)c3cccc(CCCCCCCc4ccc5c(c4)CC5)c3)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(C)c3cccc(-c4ccc5c(c4)CC5)c3)cc2)cc1
• InChI: InChI=1S/C46H37N.C42H33N.C35H39N.C30H27N/c1-32-14-16-35(17-15-32)42-28-43(30-44(29-42)38-11-6-10-37(26-38)33-8-4-3-5-9-33)36-22-24-45(25-23-36)47(2)46-13-7-12-39(31-46)41-21-19-34-18-20-40(34)27-41;1-28-14-16-30(17-15-28)41-37-10-3-5-12-39(37)42(40-13-6-4-11-38(40)41)31-22-24-35(25-23-31)43(2)36-9-7-8-32(27-36)34-21-19-29-18-20-33(29)26-34;1-27-13-16-30(17-14-27)31-21-23-34(24-22-31)36(2)35-12-8-11-28(26-35)9-6-4-3-5-7-10-29-15-18-32-19-20-33(32)25-29;1-22-6-8-23(9-7-22)10-11-24-12-18-29(19-13-24)31(2)30-5-3-4-26(21-30)28-17-15-25-14-16-27(25)20-28/h3-17,19,21-31H,18,20H2,1-2H3;3-17,19,21-27H,18,20H2,1-2H3;8,11-18,21-26H,3-7,9-10,19-20H2,1-2H3;3-13,15,17-21H,14,16H2,1-2H3/b;;;11-10+
• InChIKey: GBQUWBZAWOAHEZ-LSOSENRASA-N
• XLogP: 40.33
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2030.80
LogP ≤ 5	40.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline?

The IUPAC name of 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline (CID 158207385) is 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline.

What is the SMILES notation for 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline?

The canonical SMILES for 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline is Cc1ccc(-c2c3ccccc3c(-c3ccc(N(C)c4cccc(-c5ccc6c(c5)CC6)c4)cc3)c3ccccc23)cc1.Cc1ccc(-c2cc(-c3ccc(N(C)c4cccc(-c5ccc6c(c5)CC6)c4)cc3)cc(-c3cccc(-c4ccccc4)c3)c2)cc1.Cc1ccc(-c2ccc(N(C)c3cccc(CCCCCCCc4ccc5c(c4)CC5)c3)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(C)c3cccc(-c4ccc5c(c4)CC5)c3)cc2)cc1.

What is the InChIKey of 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline?

The InChIKey is GBQUWBZAWOAHEZ-LSOSENRASA-N. The full InChI is InChI=1S/C46H37N.C42H33N.C35H39N.C30H27N/c1-32-14-16-35(17-15-32)42-28-43(30-44(29-42)38-11-6-10-37(26-38)33-8-4-3-5-9-33)36-22-24-45(25-23-36)47(2)46-13-7-12-39(31-46)41-21-19-34-18-20-40(34)27-41;1-28-14-16-30(17-15-28)41-37-10-3-5-12-39(37)42(40-13-6-4-11-38(40)41)31-22-24-35(25-23-31)43(2)36-9-7-8-32(27-36)34-21-19-29-18-20-33(29)26-34;1-27-13-16-30(17-14-27)31-21-23-34(24-22-31)36(2)35-12-8-11-28(26-35)9-6-4-3-5-7-10-29-15-18-32-19-20-33(32)25-29;1-22-6-8-23(9-7-22)10-11-24-12-18-29(19-13-24)31(2)30-5-3-4-26(21-30)28-17-15-25-14-16-27(25)20-28/h3-17,19,21-31H,18,20H2,1-2H3;3-17,19,21-27H,18,20H2,1-2H3;8,11-18,21-26H,3-7,9-10,19-20H2,1-2H3;3-13,15,17-21H,14,16H2,1-2H3/b;;;11-10+.

What are the key properties of 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline?

3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 2030.80 g/mol, XLogP of 40.33, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)heptyl]-N-methyl-N-[4-(4-methylphenyl)phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[3-(4-methylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 158207385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).