2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine

C62H52N2O2 — CID 135208815

About 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine

2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine (PubChem CID 135208815) has the molecular formula C62H52N2O2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine.

Molecular Properties

• Compound Name: 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine
• PubChem CID: 135208815
• Molecular Formula: C62H52N2O2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.40
• IUPAC Name: 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine
• SMILES: Cc1ccccc1N(c1cccc2c1OC1C=CC=CC21)c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cccc5c4oc4ccccc45)cc4c5c(cc1c2c35)C(C)(C)CC4
• InChI: InChI=1S/C62H52N2O2/c1-36(2)46-35-54(64(50-24-12-8-18-38(50)4)52-26-16-22-44-41-20-10-14-28-56(41)66-61(44)52)47-34-48-57-39(31-32-62(48,5)6)33-53(45-30-29-42(46)58(47)59(45)57)63(49-23-11-7-17-37(49)3)51-25-15-21-43-40-19-9-13-27-55(40)65-60(43)51/h7-30,33-36,41,56H,31-32H2,1-6H3
• InChIKey: WZFYBPSWCXPRDN-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?

The IUPAC name of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine (CID 135208815) is 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine.

What is the SMILES notation for 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?

The canonical SMILES for 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine is Cc1ccccc1N(c1cccc2c1OC1C=CC=CC21)c1cc(C(C)C)c2ccc3c(N(c4ccccc4C)c4cccc5c4oc4ccccc45)cc4c5c(cc1c2c35)C(C)(C)CC4.

What is the InChIKey of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?

The InChIKey is WZFYBPSWCXPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2O2/c1-36(2)46-35-54(64(50-24-12-8-18-38(50)4)52-26-16-22-44-41-20-10-14-28-56(41)66-61(44)52)47-34-48-57-39(31-32-62(48,5)6)33-53(45-30-29-42(46)58(47)59(45)57)63(49-23-11-7-17-37(49)3)51-25-15-21-43-40-19-9-13-27-55(40)65-60(43)51/h7-30,33-36,41,56H,31-32H2,1-6H3.

What are the key properties of 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine?

2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine has a molecular weight of 857.11 g/mol, XLogP of 17.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(5a,9a-dihydrodibenzofuran-4-yl)-9-N-dibenzofuran-4-yl-14,14-dimethyl-2-N,9-N-bis(2-methylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine is sourced from PubChem (CID 135208815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).