N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine

C61H40N2 — CID 135167354

About N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine

N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine (PubChem CID 135167354) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine.

Molecular Properties

• Compound Name: N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine
• PubChem CID: 135167354
• Molecular Formula: C61H40N2
• Molecular Weight: 801.01 g/mol
• Exact Mass: 800.32
• IUPAC Name: N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C61H40N2/c1-3-18-41(19-4-1)43-34-36-44(37-35-43)48-24-9-14-31-57(48)62(46-23-17-22-45(38-46)42-20-5-2-6-21-42)47-39-52-51-27-10-15-32-58(51)63-59-33-16-13-30-55(59)61(56(40-47)60(52)63)53-28-11-7-25-49(53)50-26-8-12-29-54(50)61/h1-40H
• InChIKey: OZJCQLLBUNNANH-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.01
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine?

The IUPAC name of N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine (CID 135167354) is N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine.

What is the SMILES notation for N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine?

The canonical SMILES for N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine?

The InChIKey is OZJCQLLBUNNANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-3-18-41(19-4-1)43-34-36-44(37-35-43)48-24-9-14-31-57(48)62(46-23-17-22-45(38-46)42-20-5-2-6-21-42)47-39-52-51-27-10-15-32-58(51)63-59-33-16-13-30-55(59)61(56(40-47)60(52)63)53-28-11-7-25-49(53)50-26-8-12-29-54(50)61/h1-40H.

What are the key properties of N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine?

N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine has a molecular weight of 801.01 g/mol, XLogP of 15.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]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]-10-amine is sourced from PubChem (CID 135167354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).