9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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

C80H52N2 — CID 135167027

About 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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-[2-(3-phenylphenyl)phenyl]-N-(2-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 135167027) has the molecular formula C80H52N2 and a molecular weight of 1041.31 g/mol. Its IUPAC name is 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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-[2-(3-phenylphenyl)phenyl]-N-(2-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: 135167027
• Molecular Formula: C80H52N2
• Molecular Weight: 1041.31 g/mol
• Exact Mass: 1040.41
• IUPAC Name: 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C80H52N2/c1-4-25-53(26-5-1)54-27-22-28-55(51-54)59-33-12-18-44-72(59)81(76-48-24-42-69-77(76)65-37-11-16-40-67(65)79(69,57-29-6-2-7-30-57)58-31-8-3-9-32-58)73-45-19-13-34-60(73)56-49-50-62-61-35-10-15-39-66(61)80(71(62)52-56)68-41-17-21-47-75(68)82-74-46-20-14-36-63(74)64-38-23-43-70(80)78(64)82/h1-52H
• InChIKey: NPDQHWNJBPIJAM-UHFFFAOYSA-N
• XLogP: 20.29
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.31
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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-[2-(3-phenylphenyl)phenyl]-N-(2-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 135167027) is 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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-[2-(3-phenylphenyl)phenyl]-N-(2-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-[2-(3-phenylphenyl)phenyl]-N-(2-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(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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 NPDQHWNJBPIJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2/c1-4-25-53(26-5-1)54-27-22-28-55(51-54)59-33-12-18-44-72(59)81(76-48-24-42-69-77(76)65-37-11-16-40-67(65)79(69,57-29-6-2-7-30-57)58-31-8-3-9-32-58)73-45-19-13-34-60(73)56-49-50-62-61-35-10-15-39-66(61)80(71(62)52-56)68-41-17-21-47-75(68)82-74-46-20-14-36-63(74)64-38-23-43-70(80)78(64)82/h1-52H.

What are the key properties of 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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-[2-(3-phenylphenyl)phenyl]-N-(2-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 1041.31 g/mol, XLogP of 20.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(2-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 135167027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).