N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene

C₇₀H₆₂N₂S₂ — CID 144761421

About N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene

N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene (PubChem CID 144761421) has the molecular formula C₇₀H₆₂N₂S₂ and a molecular weight of 995.41 g/mol. Its IUPAC name is N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene.

Molecular Properties

• Compound Name: N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene
• PubChem CID: 144761421
• Molecular Formula: C₇₀H₆₂N₂S₂
• Molecular Weight: 995.41 g/mol
• Exact Mass: 994.44
• IUPAC Name: N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene
• SMILES: C=C.CC.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3c(C)cccc3C)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1c(C)cccc1C
• InChI: InChI=1S/C66H52N2S2.C2H6.C2H4/c1-41-15-11-16-42(2)63(41)67(51-33-27-47(28-34-51)53-21-13-23-57-55-19-7-9-25-61(55)69-65(53)57)59-37-31-49(39-45(59)5)50-32-38-60(46(6)40-50)68(64-43(3)17-12-18-44(64)4)52-35-29-48(30-36-52)54-22-14-24-58-56-20-8-10-26-62(56)70-66(54)58;2*1-2/h7-40H,1-6H3;1-2H3;1-2H2
• InChIKey: LFBCJSVRBAJUSQ-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.41
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene?

The IUPAC name of N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene (CID 144761421) is N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene.

What is the SMILES notation for N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene?

The canonical SMILES for N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene is C=C.CC.Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3c(C)cccc3C)c(C)c2)ccc1N(c1ccc(-c2cccc3c2sc2ccccc23)cc1)c1c(C)cccc1C.

What is the InChIKey of N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene?

The InChIKey is LFBCJSVRBAJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2S2.C2H6.C2H4/c1-41-15-11-16-42(2)63(41)67(51-33-27-47(28-34-51)53-21-13-23-57-55-19-7-9-25-61(55)69-65(53)57)59-37-31-49(39-45(59)5)50-32-38-60(46(6)40-50)68(64-43(3)17-12-18-44(64)4)52-35-29-48(30-36-52)54-22-14-24-58-56-20-8-10-26-62(56)70-66(54)58;2*1-2/h7-40H,1-6H3;1-2H3;1-2H2.

What are the key properties of N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene?

N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene has a molecular weight of 995.41 g/mol, XLogP of 22.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene is sourced from PubChem (CID 144761421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144761421 — identifiers, structure, computed properties (public domain)

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