N-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

C55H36N2 — CID 135167298

About N-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-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 135167298) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is N-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-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: 135167298
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: N-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(c3ccccc3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C55H36N2/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)42-20-9-13-28-51(42)56(40-18-5-2-6-19-40)41-34-35-52-46(36-41)45-23-15-27-50-54(45)57(52)53-29-14-12-26-49(53)55(50)47-24-10-7-21-43(47)44-22-8-11-25-48(44)55/h1-36H
• InChIKey: XMVIMHXOGZTGRJ-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-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-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 135167298) is N-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-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-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(c3ccccc3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of N-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 XMVIMHXOGZTGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-3-16-37(17-4-1)38-30-32-39(33-31-38)42-20-9-13-28-51(42)56(40-18-5-2-6-19-40)41-34-35-52-46(36-41)45-23-15-27-50-54(45)57(52)53-29-14-12-26-49(53)55(50)47-24-10-7-21-43(47)44-22-8-11-25-48(44)55/h1-36H.

What are the key properties of N-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-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 724.91 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-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 135167298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).