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

C67H44N2 — CID 135166289

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

N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine (PubChem CID 135166289) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine.

Molecular Properties

• Compound Name: N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine
• PubChem CID: 135166289
• Molecular Formula: C67H44N2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.35
• IUPAC Name: N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc(-c5ccccc5)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1
• InChI: InChI=1S/C67H44N2/c1-3-18-45(19-4-1)47-36-38-48(39-37-47)49-40-42-52(43-41-49)68(61-32-12-8-24-53(61)51-23-15-22-50(44-51)46-20-5-2-6-21-46)64-35-17-30-59-65(64)56-26-7-10-28-57(56)67(59)58-29-11-14-34-63(58)69-62-33-13-9-25-54(62)55-27-16-31-60(67)66(55)69/h1-44H
• InChIKey: LUVVXLMUUGYNOS-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-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine?

The IUPAC name of N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine (CID 135166289) is N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine.

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

The canonical SMILES for N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc(-c5ccccc5)c4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)cc2)cc1.

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

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

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

N-[2-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-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-(3-phenylphenyl)phenyl]-N-[4-(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]-4'-amine is sourced from PubChem (CID 135166289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).