9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C66H48N2O2Si2 — CID 155644721

About 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155644721) has the molecular formula C66H48N2O2Si2 and a molecular weight of 957.29 g/mol. Its IUPAC name is 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 155644721
• Molecular Formula: C66H48N2O2Si2
• Molecular Weight: 957.29 g/mol
• Exact Mass: 956.33
• IUPAC Name: 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: C[Si]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccccc8)c8cccc9c8[Si](C)(C)c8ccccc8-9)ccc7cc6c4cc35)c21
• InChI: InChI=1S/C66H48N2O2Si2/c1-71(2)63-27-13-11-21-49(63)51-23-15-25-57(65(51)71)67(45-17-7-5-8-18-45)47-31-29-41-35-53-55-39-56-54-36-42-30-32-48(34-44(42)38-60(54)70-62(56)40-61(55)69-59(53)37-43(41)33-47)68(46-19-9-6-10-20-46)58-26-16-24-52-50-22-12-14-28-64(50)72(3,4)66(52)58/h5-40H,1-4H3
• InChIKey: VCXVQJAILPQBAB-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.29
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155644721) is 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is C[Si]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccccc8)c8cccc9c8[Si](C)(C)c8ccccc8-9)ccc7cc6c4cc35)c21.

What is the InChIKey of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is VCXVQJAILPQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2O2Si2/c1-71(2)63-27-13-11-21-49(63)51-23-15-25-57(65(51)71)67(45-17-7-5-8-18-45)47-31-29-41-35-53-55-39-56-54-36-42-30-32-48(34-44(42)38-60(54)70-62(56)40-61(55)69-59(53)37-43(41)33-47)68(46-19-9-6-10-20-46)58-26-16-24-52-50-22-12-14-28-64(50)72(3,4)66(52)58/h5-40H,1-4H3.

What are the key properties of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 957.29 g/mol, XLogP of 16.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155644721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).