5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C69H58N2O2Si2 — CID 140725512

About 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 140725512) has the molecular formula C69H58N2O2Si2 and a molecular weight of 1003.41 g/mol. Its IUPAC name is 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

• Compound Name: 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
• PubChem CID: 140725512
• Molecular Formula: C69H58N2O2Si2
• Molecular Weight: 1003.41 g/mol
• Exact Mass: 1002.40
• IUPAC Name: 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
• SMILES: Cc1ccc(N(c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccc(C)cc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C69H58N2O2Si2/c1-43-27-32-47(33-28-43)70(61-23-15-21-56-52-18-11-13-25-63(52)72-67(56)61)49-36-31-45-40-59-60(41-46(45)39-49)69(74(3,4)5,75(6,7)8)66-55-38-37-50(42-58(55)51-17-9-10-20-54(51)65(59)66)71(48-34-29-44(2)30-35-48)62-24-16-22-57-53-19-12-14-26-64(53)73-68(57)62/h9-42H,1-8H3
• InChIKey: JUVFOJCVNDWKQD-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.41
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The IUPAC name of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 140725512) is 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

What is the SMILES notation for 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The canonical SMILES for 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is Cc1ccc(N(c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2c-4c3ccccc3c3cc(N(c4ccc(C)cc4)c4cccc5c4oc4ccccc45)ccc23)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

The InChIKey is JUVFOJCVNDWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N2O2Si2/c1-43-27-32-47(33-28-43)70(61-23-15-21-56-52-18-11-13-25-63(52)72-67(56)61)49-36-31-45-40-59-60(41-46(45)39-49)69(74(3,4)5,75(6,7)8)66-55-38-37-50(42-58(55)51-17-9-10-20-54(51)65(59)66)71(48-34-29-44(2)30-35-48)62-24-16-22-57-53-19-12-14-26-64(53)73-68(57)62/h9-42H,1-8H3.

What are the key properties of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?

5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 1003.41 g/mol, XLogP of 20.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 140725512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).