N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine

C60H38N2O — CID 146508653

About N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine (PubChem CID 146508653) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine
• PubChem CID: 146508653
• Molecular Formula: C60H38N2O
• Molecular Weight: 802.98 g/mol
• Exact Mass: 802.30
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine
• SMILES: c1ccc(-c2c3c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7oc8ccccc8c67)cc5)cccc4c4ccccc4c3n3ccccc23)cc1
• InChI: InChI=1S/C60H38N2O/c1-2-16-42(17-3-1)56-52-26-10-11-38-61(52)60-50-21-7-6-20-48(50)49-25-13-24-47(57(49)59(56)60)41-32-36-44(37-33-41)62(53-27-14-29-55-58(53)51-22-8-9-28-54(51)63-55)43-34-30-40(31-35-43)46-23-12-18-39-15-4-5-19-45(39)46/h1-38H
• InChIKey: UWJWYECCABDBNR-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 20.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.98
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine (CID 146508653) is N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2c3c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7oc8ccccc8c67)cc5)cccc4c4ccccc4c3n3ccccc23)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine?

The InChIKey is UWJWYECCABDBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-2-16-42(17-3-1)56-52-26-10-11-38-61(52)60-50-21-7-6-20-48(50)49-25-13-24-47(57(49)59(56)60)41-32-36-44(37-33-41)62(53-27-14-29-55-58(53)51-22-8-9-28-54(51)63-55)43-34-30-40(31-35-43)46-23-12-18-39-15-4-5-19-45(39)46/h1-38H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine?

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 802.98 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 146508653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).