N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

C67H44N2 — CID 135167284

About N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine (PubChem CID 135167284) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine.

Molecular Properties

• Compound Name: N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
• PubChem CID: 135167284
• Molecular Formula: C67H44N2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.35
• IUPAC Name: N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C67H44N2/c1-3-20-45(21-4-1)46-38-40-48(41-39-46)51-25-11-16-35-62(51)68(63-36-17-12-29-55(63)52-26-8-7-24-50(52)47-22-5-2-6-23-47)49-42-43-64-57(44-49)56-30-19-34-61-66(56)69(64)65-37-18-15-33-60(65)67(61)58-31-13-9-27-53(58)54-28-10-14-32-59(54)67/h1-44H
• InChIKey: RWMXWHMFJZQTAX-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.10
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

The IUPAC name of N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine (CID 135167284) is N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine.

What is the SMILES notation for N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

The canonical SMILES for N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C53c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1.

What is the InChIKey of N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

The InChIKey is RWMXWHMFJZQTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-3-20-45(21-4-1)46-38-40-48(41-39-46)51-25-11-16-35-62(51)68(63-36-17-12-29-55(63)52-26-8-7-24-50(52)47-22-5-2-6-23-47)49-42-43-64-57(44-49)56-30-19-34-61-66(56)69(64)65-37-18-15-33-60(65)67(61)58-31-13-9-27-53(58)54-28-10-14-32-59(54)67/h1-44H.

What are the key properties of N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine has a molecular weight of 877.10 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine is sourced from PubChem (CID 135167284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).