4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine

C64H40N2OS — CID 176608837

About 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 176608837) has the molecular formula C64H40N2OS and a molecular weight of 885.10 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
• PubChem CID: 176608837
• Molecular Formula: C64H40N2OS
• Molecular Weight: 885.10 g/mol
• Exact Mass: 884.29
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)c1
• InChI: InChI=1S/C64H40N2OS/c1-2-14-43-35-45(28-27-41(43)13-1)44-15-11-17-49(36-44)65(48-32-29-42(30-33-48)46-31-34-63-57(38-46)55-22-6-10-26-62(55)68-63)51-39-56(64-58(40-51)54-21-5-9-25-61(54)67-64)47-16-12-18-50(37-47)66-59-23-7-3-19-52(59)53-20-4-8-24-60(53)66/h1-40H
• InChIKey: IEAXNBNEDTWPAT-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 21.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.10
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine (CID 176608837) is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)c1.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?

The InChIKey is IEAXNBNEDTWPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2OS/c1-2-14-43-35-45(28-27-41(43)13-1)44-15-11-17-49(36-44)65(48-32-29-42(30-33-48)46-31-34-63-57(38-46)55-22-6-10-26-62(55)68-63)51-39-56(64-58(40-51)54-21-5-9-25-61(54)67-64)47-16-12-18-50(37-47)66-59-23-7-3-19-52(59)53-20-4-8-24-60(53)66/h1-40H.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine has a molecular weight of 885.10 g/mol, XLogP of 18.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176608837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).