N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline

C190H167N7O3 — CID 158178927

About N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline

N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline (PubChem CID 158178927) has the molecular formula C190H167N7O3 and a molecular weight of 2596.47 g/mol. Its IUPAC name is N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline
• PubChem CID: 158178927
• Molecular Formula: C190H167N7O3
• Molecular Weight: 2596.47 g/mol
• Exact Mass: 2594.31
• IUPAC Name: N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline
• SMILES: CCCCCCCCc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc(-c5cccc(COCCCCOC6(C)COC6)c5)c4)cc3)cc2)cc1.CN(c1cccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2)c1)c1cccc(-c2ccc3c(c2)CC3)c1.Cc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C81H81N3O3.C78H61N3.C31H25N/c1-3-4-5-6-7-11-22-64-37-47-76(48-38-64)83(77-51-41-66(42-52-77)34-33-65-39-49-75(50-40-65)82(72-26-12-8-13-27-72)73-28-14-9-15-29-73)78-53-43-67(44-54-78)35-36-68-45-55-79(56-46-68)84(74-30-16-10-17-31-74)80-32-21-25-71(60-80)70-24-20-23-69(59-70)61-85-57-18-19-58-87-81(2)62-86-63-81;1-78(2)76-32-11-10-31-74(76)75-46-45-73(53-77(75)78)81(72-30-16-23-63(52-72)60-20-13-18-58(48-60)55-37-41-68(42-38-55)80(66-24-6-4-7-25-66)67-26-8-5-9-27-67)69-43-39-56(40-44-69)57-17-12-19-59(47-57)61-21-14-28-70(50-61)79(3)71-29-15-22-62(51-71)65-36-34-54-33-35-64(54)49-65;1-24-18-20-25(21-19-24)26-10-8-11-27(22-26)28-12-9-17-31(23-28)32(29-13-4-2-5-14-29)30-15-6-3-7-16-30/h8-10,12-17,20-21,23-56,59-60H,3-7,11,18-19,22,57-58,61-63H2,1-2H3;4-32,34,36-53H,33,35H2,1-3H3;2-23H,1H3/b34-33+,36-35+
• InChIKey: FYINPKUJOXOCEB-VCLNPSOFSA-N
• XLogP: 52.04
• TPSA: 50.37 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 47
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2596.47
LogP ≤ 5	52.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline?

The IUPAC name of N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline (CID 158178927) is N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline.

What is the SMILES notation for N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline?

The canonical SMILES for N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline is CCCCCCCCc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc(-c5cccc(COCCCCOC6(C)COC6)c5)c4)cc3)cc2)cc1.CN(c1cccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2)c1)c1cccc(-c2ccc3c(c2)CC3)c1.Cc1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c2)cc1.

What is the InChIKey of N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline?

The InChIKey is FYINPKUJOXOCEB-VCLNPSOFSA-N. The full InChI is InChI=1S/C81H81N3O3.C78H61N3.C31H25N/c1-3-4-5-6-7-11-22-64-37-47-76(48-38-64)83(77-51-41-66(42-52-77)34-33-65-39-49-75(50-40-65)82(72-26-12-8-13-27-72)73-28-14-9-15-29-73)78-53-43-67(44-54-78)35-36-68-45-55-79(56-46-68)84(74-30-16-10-17-31-74)80-32-21-25-71(60-80)70-24-20-23-69(59-70)61-85-57-18-19-58-87-81(2)62-86-63-81;1-78(2)76-32-11-10-31-74(76)75-46-45-73(53-77(75)78)81(72-30-16-23-63(52-72)60-20-13-18-58(48-60)55-37-41-68(42-38-55)80(66-24-6-4-7-25-66)67-26-8-5-9-27-67)69-43-39-56(40-44-69)57-17-12-19-59(47-57)61-21-14-28-70(50-61)79(3)71-29-15-22-62(51-71)65-36-34-54-33-35-64(54)49-65;1-24-18-20-25(21-19-24)26-10-8-11-27(22-26)28-12-9-17-31(23-28)32(29-13-4-2-5-14-29)30-15-6-3-7-16-30/h8-10,12-17,20-21,23-56,59-60H,3-7,11,18-19,22,57-58,61-63H2,1-2H3;4-32,34,36-53H,33,35H2,1-3H3;2-23H,1H3/b34-33+,36-35+;;.

What are the key properties of N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline?

N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline has a molecular weight of 2596.47 g/mol, XLogP of 52.04, 47 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[3-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]phenyl]-9,9-dimethyl-N-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]fluoren-2-amine;3-[3-[4-(3-methyloxetan-3-yl)oxybutoxymethyl]phenyl]-N-[4-[(E)-2-[4-(4-octyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]-N-phenylaniline;3-[3-(4-methylphenyl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 158178927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).