N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline

C67H44N2 — CID 167176382

About N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline

N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline (PubChem CID 167176382) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline
• PubChem CID: 167176382
• Molecular Formula: C67H44N2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.35
• IUPAC Name: N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6-n6c8ccccc8c8cccc(c86)C76c7ccccc7-c7ccccc76)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C67H44N2/c1-3-15-45(16-4-1)46-29-31-47(32-30-46)48-33-35-49(36-34-48)50-37-41-53(42-38-50)68(52-17-5-2-6-18-52)54-43-39-51(40-44-54)55-22-13-26-62-65(55)69-64-28-12-9-21-58(64)59-23-14-27-63(66(59)69)67(62)60-24-10-7-19-56(60)57-20-8-11-25-61(57)67/h1-44H
• InChIKey: QRLOOMHNSOTIMM-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-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline?

The IUPAC name of N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline (CID 167176382) is N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline.

What is the SMILES notation for N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline?

The canonical SMILES for N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6-n6c8ccccc8c8cccc(c86)C76c7ccccc7-c7ccccc76)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline?

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

What are the key properties of N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline?

N-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline 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-phenyl-4-[4-(4-phenylphenyl)phenyl]-N-(4-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]-18-ylphenyl)aniline is sourced from PubChem (CID 167176382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).