7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

C63H72N2Si2 — CID 140738045

About 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (PubChem CID 140738045) has the molecular formula C63H72N2Si2 and a molecular weight of 913.46 g/mol. Its IUPAC name is 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

Molecular Properties

• Compound Name: 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
• PubChem CID: 140738045
• Molecular Formula: C63H72N2Si2
• Molecular Weight: 913.46 g/mol
• Exact Mass: 912.52
• IUPAC Name: 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc3cc(N(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)ccc3cc2-4)cc1
• InChI: InChI=1S/C63H72N2Si2/c1-41(2)45-15-25-53(26-16-45)64(54-27-17-46(18-28-54)42(3)4)57-33-23-49-37-59-60-38-50-24-34-58(65(55-29-19-47(20-30-55)43(5)6)56-31-21-48(22-32-56)44(7)8)36-52(50)40-62(60)63(66(9,10)11,67(12,13)14)61(59)39-51(49)35-57/h15-44H,1-14H3
• InChIKey: VWMLSYRPOZXDKU-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.46
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The IUPAC name of 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (CID 140738045) is 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

What is the SMILES notation for 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The canonical SMILES for 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)C([Si](C)(C)C)([Si](C)(C)C)c2cc3cc(N(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)ccc3cc2-4)cc1.

What is the InChIKey of 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The InChIKey is VWMLSYRPOZXDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H72N2Si2/c1-41(2)45-15-25-53(26-16-45)64(54-27-17-46(18-28-54)42(3)4)57-33-23-49-37-59-60-38-50-24-34-58(65(55-29-19-47(20-30-55)43(5)6)56-31-21-48(22-32-56)44(7)8)36-52(50)40-62(60)63(66(9,10)11,67(12,13)14)61(59)39-51(49)35-57/h15-44H,1-14H3.

What are the key properties of 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine has a molecular weight of 913.46 g/mol, XLogP of 19.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,7-N,17-N,17-N-tetrakis(4-propan-2-ylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is sourced from PubChem (CID 140738045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).