4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline

C162H131N3O2S2 — CID 158977115

About 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline

4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline (PubChem CID 158977115) has the molecular formula C162H131N3O2S2 and a molecular weight of 2215.98 g/mol. Its IUPAC name is 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline.

Molecular Properties

• Compound Name: 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline
• PubChem CID: 158977115
• Molecular Formula: C162H131N3O2S2
• Molecular Weight: 2215.98 g/mol
• Exact Mass: 2213.97
• IUPAC Name: 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline
• SMILES: C/C=C\C=C(/C)N(C1=CC(c2ccccc2)C(c2ccccc2)C=C1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.C1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(/C=C/C=C\c4coc5ccccc45)C=C3)c3ccc(-c4cccc5c4oc4ccccc45)c(-c4ccccc4)c3)CC2)=C1.C1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(c4cccc5c4sc4ccccc45)C=C3)c3ccc(-c4cccc5c4SC4=CC=CCC45)c(-c4ccccc4)c3)CC2)=C1
• InChI: InChI=1S/C60H47NO2.C60H47NS2.C42H37N/c1-4-17-42(18-5-1)43-31-34-48(35-32-43)61(49-36-33-46(56(39-49)44-19-6-2-7-20-44)23-10-11-24-47-41-62-58-29-14-12-25-51(47)58)50-37-38-52(57(40-50)45-21-8-3-9-22-45)54-27-16-28-55-53-26-13-15-30-59(53)63-60(54)55;1-4-16-40(17-5-1)41-30-32-44(33-31-41)61(45-34-36-47(55(38-45)42-18-6-2-7-19-42)51-24-14-26-53-49-22-10-12-28-57(49)62-59(51)53)46-35-37-48(56(39-46)43-20-8-3-9-21-43)52-25-15-27-54-50-23-11-13-29-58(50)63-60(52)54;1-3-4-17-32(2)43(37-26-28-39(33-18-9-5-10-19-33)41(30-37)35-22-13-7-14-23-35)38-27-29-40(34-20-11-6-12-21-34)42(31-38)36-24-15-8-16-25-36/h1-4,6-17,19-31,33-34,36-41,46,56H,5,18,32,35H2;1-4,6-16,18-22,24-30,32,34-39,47,50,55H,5,17,23,31,33H2;3-31,39,41H,1-2H3/b23-10+,24-11-;;4-3-,32-17+
• InChIKey: JONKMOFDTYJISK-FIYSENPCSA-N
• XLogP: 44.93
• TPSA: 36.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2215.98
LogP ≤ 5	44.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline?

The IUPAC name of 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline (CID 158977115) is 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline.

What is the SMILES notation for 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline?

The canonical SMILES for 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline is C/C=C\C=C(/C)N(C1=CC(c2ccccc2)C(c2ccccc2)C=C1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.C1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(/C=C/C=C\c4coc5ccccc45)C=C3)c3ccc(-c4cccc5c4oc4ccccc45)c(-c4ccccc4)c3)CC2)=C1.C1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(c4cccc5c4sc4ccccc45)C=C3)c3ccc(-c4cccc5c4SC4=CC=CCC45)c(-c4ccccc4)c3)CC2)=C1.

What is the InChIKey of 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline?

The InChIKey is JONKMOFDTYJISK-FIYSENPCSA-N. The full InChI is InChI=1S/C60H47NO2.C60H47NS2.C42H37N/c1-4-17-42(18-5-1)43-31-34-48(35-32-43)61(49-36-33-46(56(39-49)44-19-6-2-7-20-44)23-10-11-24-47-41-62-58-29-14-12-25-51(47)58)50-37-38-52(57(40-50)45-21-8-3-9-22-45)54-27-16-28-55-53-26-13-15-30-59(53)63-60(54)55;1-4-16-40(17-5-1)41-30-32-44(33-31-41)61(45-34-36-47(55(38-45)42-18-6-2-7-19-42)51-24-14-26-53-49-22-10-12-28-57(49)62-59(51)53)46-35-37-48(56(39-46)43-20-8-3-9-21-43)52-25-15-27-54-50-23-11-13-29-58(50)63-60(52)54;1-3-4-17-32(2)43(37-26-28-39(33-18-9-5-10-19-33)41(30-37)35-22-13-7-14-23-35)38-27-29-40(34-20-11-6-12-21-34)42(31-38)36-24-15-8-16-25-36/h1-4,6-17,19-31,33-34,36-41,46,56H,5,18,32,35H2;1-4,6-16,18-22,24-30,32,34-39,47,50,55H,5,17,23,31,33H2;3-31,39,41H,1-2H3/b23-10+,24-11-;;4-3-,32-17+.

What are the key properties of 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline?

4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline has a molecular weight of 2215.98 g/mol, XLogP of 44.93, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline is sourced from PubChem (CID 158977115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).