2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane

C67H66N2O2 — CID 144918740

About 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane

2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane (PubChem CID 144918740) has the molecular formula C67H66N2O2 and a molecular weight of 931.28 g/mol. Its IUPAC name is 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane.

Molecular Properties

• Compound Name: 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane
• PubChem CID: 144918740
• Molecular Formula: C67H66N2O2
• Molecular Weight: 931.28 g/mol
• Exact Mass: 930.51
• IUPAC Name: 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane
• SMILES: CC.CC.Cc1ccc(N(c2ccc3c4c2C=Cc2ccc(N(c5ccc(C)cc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c(c2C4)C=C3)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1
• InChI: InChI=1S/C63H54N2O2.2C2H6/c1-38-21-29-42(30-22-38)64(56-19-11-15-48-46-13-9-17-52(62(3,4)5)58(46)66-60(48)56)54-35-27-40-26-34-45-51-37-50(40)44(54)33-25-41(51)28-36-55(45)65(43-31-23-39(2)24-32-43)57-20-12-16-49-47-14-10-18-53(63(6,7)8)59(47)67-61(49)57;2*1-2/h9-36H,37H2,1-8H3;2*1-2H3
• InChIKey: QYZGKJSTSCIKCV-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.28
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane?

The IUPAC name of 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane (CID 144918740) is 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane.

What is the SMILES notation for 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane?

The canonical SMILES for 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane is CC.CC.Cc1ccc(N(c2ccc3c4c2C=Cc2ccc(N(c5ccc(C)cc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c(c2C4)C=C3)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1.

What is the InChIKey of 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane?

The InChIKey is QYZGKJSTSCIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2O2.2C2H6/c1-38-21-29-42(30-22-38)64(56-19-11-15-48-46-13-9-17-52(62(3,4)5)58(46)66-60(48)56)54-35-27-40-26-34-45-51-37-50(40)44(54)33-25-41(51)28-36-55(45)65(43-31-23-39(2)24-32-43)57-20-12-16-49-47-14-10-18-53(63(6,7)8)59(47)67-61(49)57;2*1-2/h9-36H,37H2,1-8H3;2*1-2H3.

What are the key properties of 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane?

2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane has a molecular weight of 931.28 g/mol, XLogP of 20.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,9-N-bis(6-tert-butyldibenzofuran-4-yl)-2-N,9-N-bis(4-methylphenyl)tetracyclo[10.3.2.05,15.08,13]heptadeca-1,3,5(15),6,8,10,12,16-octaene-2,9-diamine;ethane is sourced from PubChem (CID 144918740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).