4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline

C181H123N3O2S4 — CID 159675474

About 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline

4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline (PubChem CID 159675474) has the molecular formula C181H123N3O2S4 and a molecular weight of 2500.26 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
• PubChem CID: 159675474
• Molecular Formula: C181H123N3O2S4
• Molecular Weight: 2500.26 g/mol
• Exact Mass: 2497.85
• IUPAC Name: 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
• SMILES: C1=CC(c2cccc3c2oc2ccccc23)CC=C1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.C1=c2sc3c(-c4ccc(N(c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)cccc3c2=CCC1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c2)cc1
• InChI: InChI=1S/C61H43NO2.C60H39NS2.C60H41NS2/c1-4-16-44(17-5-1)61(45-18-6-2-7-19-45,46-20-8-3-9-21-46)47-34-40-50(41-35-47)62(48-36-30-42(31-37-48)51-24-14-26-55-53-22-10-12-28-57(53)63-59(51)55)49-38-32-43(33-39-49)52-25-15-27-56-54-23-11-13-29-58(54)64-60(52)56;1-3-12-40(13-4-1)46-36-47(41-14-5-2-6-15-41)38-48(37-46)43-24-31-50(32-25-43)61(49-29-22-42(23-30-49)45-28-35-59-56(39-45)54-17-8-9-20-57(54)62-59)51-33-26-44(27-34-51)52-18-11-19-55-53-16-7-10-21-58(53)63-60(52)55;1-3-13-40(14-4-1)45-37-46(41-15-5-2-6-16-41)39-47(38-45)42-25-31-48(32-26-42)61(49-33-27-43(28-34-49)51-19-11-21-55-53-17-7-9-23-57(53)62-59(51)55)50-35-29-44(30-36-50)52-20-12-22-56-54-18-8-10-24-58(54)63-60(52)56/h1-32,34-41,43H,33H2;1-39H;1-7,9,11-39H,8,10H2
• InChIKey: MUNSYHIJXPEQCO-UHFFFAOYSA-N
• XLogP: 50.96
• TPSA: 36.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2500.26
LogP ≤ 5	50.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?

The IUPAC name of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline (CID 159675474) is 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline.

What is the SMILES notation for 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?

The canonical SMILES for 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline is C1=CC(c2cccc3c2oc2ccccc23)CC=C1N(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.C1=c2sc3c(-c4ccc(N(c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)cccc3c2=CCC1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c2)cc1.

What is the InChIKey of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?

The InChIKey is MUNSYHIJXPEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO2.C60H39NS2.C60H41NS2/c1-4-16-44(17-5-1)61(45-18-6-2-7-19-45,46-20-8-3-9-21-46)47-34-40-50(41-35-47)62(48-36-30-42(31-37-48)51-24-14-26-55-53-22-10-12-28-57(53)63-59(51)55)49-38-32-43(33-39-49)52-25-15-27-56-54-23-11-13-29-58(54)64-60(52)56;1-3-12-40(13-4-1)46-36-47(41-14-5-2-6-15-41)38-48(37-46)43-24-31-50(32-25-43)61(49-29-22-42(23-30-49)45-28-35-59-56(39-45)54-17-8-9-20-57(54)62-59)51-33-26-44(27-34-51)52-18-11-19-55-53-16-7-10-21-58(53)63-60(52)55;1-3-13-40(14-4-1)45-37-46(41-15-5-2-6-16-41)39-47(38-45)42-25-31-48(32-26-42)61(49-33-27-43(28-34-49)51-19-11-21-55-53-17-7-9-23-57(53)62-59(51)55)50-35-29-44(30-36-50)52-20-12-22-56-54-18-8-10-24-58(54)63-60(52)56/h1-32,34-41,43H,33H2;1-39H;1-7,9,11-39H,8,10H2.

What are the key properties of 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?

4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline has a molecular weight of 2500.26 g/mol, XLogP of 50.96, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline is sourced from PubChem (CID 159675474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).