N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine

C58H35NO — CID 167412383

About N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine (PubChem CID 167412383) has the molecular formula C58H35NO and a molecular weight of 761.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
• PubChem CID: 167412383
• Molecular Formula: C58H35NO
• Molecular Weight: 761.92 g/mol
• Exact Mass: 761.27
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cc2)cc1
• InChI: InChI=1S/C58H35NO/c1-2-10-36(11-3-1)37-26-30-43(31-27-37)59(44-32-28-38(29-33-44)46-16-9-21-53-58(46)50-15-4-5-20-52(50)60-53)45-34-42-25-24-41-13-7-18-48-47-17-6-12-39-22-23-40-14-8-19-49(56(40)54(39)47)51(35-45)57(42)55(41)48/h1-35H/b48-47-,51-49-
• InChIKey: HBSILLYIVLQNJA-UMPYBVAMSA-N
• XLogP: 16.75
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.92
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine (CID 167412383) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?

The InChIKey is HBSILLYIVLQNJA-UMPYBVAMSA-N. The full InChI is InChI=1S/C58H35NO/c1-2-10-36(11-3-1)37-26-30-43(31-27-37)59(44-32-28-38(29-33-44)46-16-9-21-53-58(46)50-15-4-5-20-52(50)60-53)45-34-42-25-24-41-13-7-18-48-47-17-6-12-39-22-23-40-14-8-19-49(56(40)54(39)47)51(35-45)57(42)55(41)48/h1-35H/b48-47-,51-49-.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine?

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine has a molecular weight of 761.92 g/mol, XLogP of 16.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine is sourced from PubChem (CID 167412383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).