7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine

C73H54N2Si2 — CID 140962854

About 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine

7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine (PubChem CID 140962854) has the molecular formula C73H54N2Si2 and a molecular weight of 1015.42 g/mol. Its IUPAC name is 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine.

Molecular Properties

• Compound Name: 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
• PubChem CID: 140962854
• Molecular Formula: C73H54N2Si2
• Molecular Weight: 1015.42 g/mol
• Exact Mass: 1014.38
• IUPAC Name: 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
• SMILES: C[Si]1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5[Si]6(C)C)ccc34)ccc21
• InChI: InChI=1S/C73H54N2Si2/c1-76(2)68-29-17-13-25-59(68)63-45-54(35-39-70(63)76)74(50-19-7-5-8-20-50)52-33-31-47-43-62-61-37-32-48-41-53(75(51-21-9-6-10-22-51)55-36-40-71-64(46-55)60-26-14-18-30-69(60)77(71,3)4)34-38-56(48)72(61)73(67(62)44-49(47)42-52)65-27-15-11-23-57(65)58-24-12-16-28-66(58)73/h5-46H,1-4H3
• InChIKey: CBEODGMWDVKAHL-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.42
LogP ≤ 5	16.88
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(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?

The IUPAC name of 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine (CID 140962854) is 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine.

What is the SMILES notation for 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?

The canonical SMILES for 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine is C[Si]1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5[Si]6(C)C)ccc34)ccc21.

What is the InChIKey of 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?

The InChIKey is CBEODGMWDVKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N2Si2/c1-76(2)68-29-17-13-25-59(68)63-45-54(35-39-70(63)76)74(50-19-7-5-8-20-50)52-33-31-47-43-62-61-37-32-48-41-53(75(51-21-9-6-10-22-51)55-36-40-71-64(46-55)60-26-14-18-30-69(60)77(71,3)4)34-38-56(48)72(61)73(67(62)44-49(47)42-52)65-27-15-11-23-57(65)58-24-12-16-28-66(58)73/h5-46H,1-4H3.

What are the key properties of 7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine?

7-N',17-N'-bis(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine has a molecular weight of 1015.42 g/mol, XLogP of 16.88, 6 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(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine is sourced from PubChem (CID 140962854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).