N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline

C106H72N4OS3 — CID 161225008

About N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline

N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline (PubChem CID 161225008) has the molecular formula C106H72N4OS3 and a molecular weight of 1513.97 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
• PubChem CID: 161225008
• Molecular Formula: C106H72N4OS3
• Molecular Weight: 1513.97 g/mol
• Exact Mass: 1512.49
• IUPAC Name: N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6s5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)s2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)cc3)s2)cc1
• InChI: InChI=1S/C58H40N2OS.C48H32N2S2/c1-4-13-44(14-5-1)56-39-40-57(62-56)45-29-37-51(38-30-45)60(47-17-8-3-9-18-47)49-33-25-42(26-34-49)41-23-31-48(32-24-41)59(46-15-6-2-7-16-46)50-35-27-43(28-36-50)52-20-12-21-54-53-19-10-11-22-55(53)61-58(52)54;1-2-10-33(11-3-1)46-30-31-47(51-46)34-18-22-37(23-19-34)49(38-24-20-35(21-25-38)48-32-36-12-4-9-17-45(36)52-48)39-26-28-40(29-27-39)50-43-15-7-5-13-41(43)42-14-6-8-16-44(42)50/h1-40H;1-32H
• InChIKey: UXZQLPATICOWKD-UHFFFAOYSA-N
• XLogP: 31.79
• TPSA: 27.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1513.97
LogP ≤ 5	31.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline?

The IUPAC name of N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline (CID 161225008) is N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline.

What is the SMILES notation for N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline?

The canonical SMILES for N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6s5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)s2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)cc3)s2)cc1.

What is the InChIKey of N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline?

The InChIKey is UXZQLPATICOWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2OS.C48H32N2S2/c1-4-13-44(14-5-1)56-39-40-57(62-56)45-29-37-51(38-30-45)60(47-17-8-3-9-18-47)49-33-25-42(26-34-49)41-23-31-48(32-24-41)59(46-15-6-2-7-16-46)50-35-27-43(28-36-50)52-20-12-21-54-53-19-10-11-22-55(53)61-58(52)54;1-2-10-33(11-3-1)46-30-31-47(51-46)34-18-22-37(23-19-34)49(38-24-20-35(21-25-38)48-32-36-12-4-9-17-45(36)52-48)39-26-28-40(29-27-39)50-43-15-7-5-13-41(43)42-14-6-8-16-44(42)50/h1-40H;1-32H.

What are the key properties of N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline?

N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline has a molecular weight of 1513.97 g/mol, XLogP of 31.79, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzothiophen-2-yl)phenyl]-N-(4-carbazol-9-ylphenyl)-4-(5-phenylthiophen-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 161225008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).