7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine

C53H52N2Si2 — CID 140738191

About 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine

7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine (PubChem CID 140738191) has the molecular formula C53H52N2Si2 and a molecular weight of 773.19 g/mol. Its IUPAC name is 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine.

Molecular Properties

• Compound Name: 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
• PubChem CID: 140738191
• Molecular Formula: C53H52N2Si2
• Molecular Weight: 773.19 g/mol
• Exact Mass: 772.37
• IUPAC Name: 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
• SMILES: Cc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4C)ccc2c1C3([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C53H52N2Si2/c1-37-19-15-17-25-49(37)54(41-21-11-9-12-22-41)43-29-33-45-39(35-43)27-31-47-48-32-28-40-36-44(55(42-23-13-10-14-24-42)50-26-18-16-20-38(50)2)30-34-46(40)52(48)53(51(45)47,56(3,4)5)57(6,7)8/h9-36H,1-8H3
• InChIKey: QEDJSWIVGXQOIV-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.19
LogP ≤ 5	15.57
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,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?

The IUPAC name of 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine (CID 140738191) is 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine.

What is the SMILES notation for 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?

The canonical SMILES for 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine is Cc1ccccc1N(c1ccccc1)c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4)c4ccccc4C)ccc2c1C3([Si](C)(C)C)[Si](C)(C)C.

What is the InChIKey of 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?

The InChIKey is QEDJSWIVGXQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52N2Si2/c1-37-19-15-17-25-49(37)54(41-21-11-9-12-22-41)43-29-33-45-39(35-43)27-31-47-48-32-28-40-36-44(55(42-23-13-10-14-24-42)50-26-18-16-20-38(50)2)30-34-46(40)52(48)53(51(45)47,56(3,4)5)57(6,7)8/h9-36H,1-8H3.

What are the key properties of 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?

7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine has a molecular weight of 773.19 g/mol, XLogP of 15.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine is sourced from PubChem (CID 140738191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).