9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine

C74H48N2 — CID 135168653

About 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine

9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine (PubChem CID 135168653) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
• PubChem CID: 135168653
• Molecular Formula: C74H48N2
• Molecular Weight: 965.21 g/mol
• Exact Mass: 964.38
• IUPAC Name: 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
• SMILES: c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C74H48N2/c1-4-22-49(23-5-1)50-24-18-30-55(46-50)75(70-43-21-39-65-71(70)61-34-11-14-37-63(61)73(65,53-26-6-2-7-27-53)54-28-8-3-9-29-54)56-31-19-25-51(47-56)52-44-45-58-57-32-10-13-36-62(57)74(67(58)48-52)64-38-15-17-42-69(64)76-68-41-16-12-33-59(68)60-35-20-40-66(74)72(60)76/h1-48H
• InChIKey: ADEZJVWWIDXGHN-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.21
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

The IUPAC name of 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine (CID 135168653) is 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine.

What is the SMILES notation for 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

The canonical SMILES for 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

The InChIKey is ADEZJVWWIDXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2/c1-4-22-49(23-5-1)50-24-18-30-55(46-50)75(70-43-21-39-65-71(70)61-34-11-14-37-63(61)73(65,53-26-6-2-7-27-53)54-28-8-3-9-29-54)56-31-19-25-51(47-56)52-44-45-58-57-32-10-13-36-62(57)74(67(58)48-52)64-38-15-17-42-69(64)76-68-41-16-12-33-59(68)60-35-20-40-66(74)72(60)76/h1-48H.

What are the key properties of 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine has a molecular weight of 965.21 g/mol, XLogP of 18.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 135168653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).