N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine

C64H39NO2S — CID 170215404

About N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine

N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine (PubChem CID 170215404) has the molecular formula C64H39NO2S and a molecular weight of 886.09 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
• PubChem CID: 170215404
• Molecular Formula: C64H39NO2S
• Molecular Weight: 886.09 g/mol
• Exact Mass: 885.27
• IUPAC Name: N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
• SMILES: c1ccc(C(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3-c3oc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1
• InChI: InChI=1S/C64H39NO2S/c1-3-17-39(18-4-1)59(40-34-36-58-49(37-40)46-23-10-14-32-57(46)68-58)41-33-35-44-43-21-7-11-26-50(43)64(52(44)38-41)51-27-16-28-53(60(51)63-61(64)48-24-9-13-31-56(48)67-63)65(42-19-5-2-6-20-42)54-29-15-25-47-45-22-8-12-30-55(45)66-62(47)54/h1-38,59H
• InChIKey: CLLBXKXBIAFMTM-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 29.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.09
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?

The IUPAC name of N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine (CID 170215404) is N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?

The canonical SMILES for N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine is c1ccc(C(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3-c3oc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?

The InChIKey is CLLBXKXBIAFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NO2S/c1-3-17-39(18-4-1)59(40-34-36-58-49(37-40)46-23-10-14-32-57(46)68-58)41-33-35-44-43-21-7-11-26-50(43)64(52(44)38-41)51-27-16-28-53(60(51)63-61(64)48-24-9-13-31-56(48)67-63)65(42-19-5-2-6-20-42)54-29-15-25-47-45-22-8-12-30-55(45)66-62(47)54/h1-38,59H.

What are the key properties of N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine?

N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine has a molecular weight of 886.09 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine is sourced from PubChem (CID 170215404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).