5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

C69H58N2O2Si2 — CID 140725444

About 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine

5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (PubChem CID 140725444) 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(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.

Molecular Properties

• Compound Name: 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
• PubChem CID: 140725444
• 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(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
• SMILES: Cc1ccccc1N(c1ccc2c3c(ccc2c1)-c1c(c2ccc(N(c4ccccc4C)c4cccc5c4oc4ccccc45)cc2c2ccccc12)C3([Si](C)(C)C)[Si](C)(C)C)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C69H58N2O2Si2/c1-43-21-9-15-29-58(43)70(60-31-19-27-54-50-24-13-17-33-62(50)72-67(54)60)46-36-39-48-45(41-46)35-38-56-64-52-26-12-11-23-49(52)57-42-47(37-40-53(57)66(64)69(65(48)56,74(3,4)5)75(6,7)8)71(59-30-16-10-22-44(59)2)61-32-20-28-55-51-25-14-18-34-63(51)73-68(55)61/h9-42H,1-8H3
• InChIKey: CEYDRLVMKLBMMY-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(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

The IUPAC name of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine (CID 140725444) is 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine.

What is the SMILES notation for 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

The canonical SMILES for 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is Cc1ccccc1N(c1ccc2c3c(ccc2c1)-c1c(c2ccc(N(c4ccccc4C)c4cccc5c4oc4ccccc45)cc2c2ccccc12)C3([Si](C)(C)C)[Si](C)(C)C)c1cccc2c1oc1ccccc12.

What is the InChIKey of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

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

What are the key properties of 5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine?

5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-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(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine is sourced from PubChem (CID 140725444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).