16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C70H50N2O — CID 118633625

About 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 118633625) has the molecular formula C70H50N2O and a molecular weight of 935.18 g/mol. Its IUPAC name is 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 118633625
• Molecular Formula: C70H50N2O
• Molecular Weight: 935.18 g/mol
• Exact Mass: 934.39
• IUPAC Name: 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: Cc1c2c3c(cccc3c3cc(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc1-2
• InChI: InChI=1S/C70H50N2O/c1-45-57-37-35-54(72(53-34-33-48-23-13-14-24-49(48)40-53)65-31-18-29-60-58-27-15-16-32-66(58)73-69(60)65)43-62(57)59-28-17-30-63-68(59)67(45)61-38-36-55(44-64(61)70(63,2)3)71(52-25-11-6-12-26-52)56-41-50(46-19-7-4-8-20-46)39-51(42-56)47-21-9-5-10-22-47/h4-44H,1-3H3
• InChIKey: PPIDGSLIXWTFTF-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.18
LogP ≤ 5	19.93
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 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 118633625) is 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is Cc1c2c3c(cccc3c3cc(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)ccc13)C(C)(C)c1cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc1-2.

What is the InChIKey of 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is PPIDGSLIXWTFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2O/c1-45-57-37-35-54(72(53-34-33-48-23-13-14-24-49(48)40-53)65-31-18-29-60-58-27-15-16-32-66(58)73-69(60)65)43-62(57)59-28-17-30-63-68(59)67(45)61-38-36-55(44-64(61)70(63,2)3)71(52-25-11-6-12-26-52)56-41-50(46-19-7-4-8-20-46)39-51(42-56)47-21-9-5-10-22-47/h4-44H,1-3H3.

What are the key properties of 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 935.18 g/mol, XLogP of 19.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-dibenzofuran-4-yl-5-N-(3,5-diphenylphenyl)-8,8,20-trimethyl-16-N-naphthalen-2-yl-5-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 118633625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).