N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine

C67H41NOS — CID 130463415

About N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine (PubChem CID 130463415) has the molecular formula C67H41NOS and a molecular weight of 908.14 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
• PubChem CID: 130463415
• Molecular Formula: C67H41NOS
• Molecular Weight: 908.14 g/mol
• Exact Mass: 907.29
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2C32c3ccccc3-c3cc4c(cc32)sc2ccccc24)cc1
• InChI: InChI=1S/C67H41NOS/c1-2-17-42(18-3-1)46-19-8-13-30-62(46)68(44-35-33-43(34-36-44)47-26-16-27-54-52-24-9-14-31-63(52)69-66(47)54)45-37-38-60-55(39-45)49-21-5-4-20-48(49)50-22-6-11-28-58(50)67(60)59-29-12-7-23-51(59)56-40-57-53-25-10-15-32-64(53)70-65(57)41-61(56)67/h1-41H
• InChIKey: YDDAQYVVQUNPDA-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 16.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.14
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine (CID 130463415) is N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)-c2ccccc2-c2ccccc2C32c3ccccc3-c3cc4c(cc32)sc2ccccc24)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

The InChIKey is YDDAQYVVQUNPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NOS/c1-2-17-42(18-3-1)46-19-8-13-30-62(46)68(44-35-33-43(34-36-44)47-26-16-27-54-52-24-9-14-31-63(52)69-66(47)54)45-37-38-60-55(39-45)49-21-5-4-20-48(49)50-22-6-11-28-58(50)67(60)59-29-12-7-23-51(59)56-40-57-53-25-10-15-32-64(53)70-65(57)41-61(56)67/h1-41H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine?

N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine has a molecular weight of 908.14 g/mol, XLogP of 18.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine is sourced from PubChem (CID 130463415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).