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',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine

C142H101N5Si2 — CID 157309652

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',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine

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',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine (PubChem CID 157309652) has the molecular formula C142H101N5Si2 and a molecular weight of 1933.58 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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine.

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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine
• PubChem CID: 157309652
• Molecular Formula: C142H101N5Si2
• Molecular Weight: 1933.58 g/mol
• Exact Mass: 1931.76
• 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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine
• 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.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4cc(N(c3ccccc3)c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1
• InChI: InChI=1S/C73H54N2Si2.C69H47N3/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;1-7-23-50(24-8-1)70(51-25-9-2-10-26-51)56-40-39-48-44-61-63-47-67(72(54-31-15-5-16-32-54)55-33-17-6-18-34-55)62-46-57(71(52-27-11-3-12-28-52)53-29-13-4-14-30-53)41-42-60(62)68(63)69(66(61)45-49(48)43-56)64-37-21-19-35-58(64)59-36-20-22-38-65(59)69/h5-46H,1-4H3;1-47H
• InChIKey: BCWVAVIPQRHSBM-UHFFFAOYSA-N
• XLogP: 35.63
• TPSA: 16.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1933.58
LogP ≤ 5	35.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine?

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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine (CID 157309652) 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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine.

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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine?

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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine 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.c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4cc(N(c3ccccc3)c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.

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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine?

The InChIKey is BCWVAVIPQRHSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N2Si2.C69H47N3/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;1-7-23-50(24-8-1)70(51-25-9-2-10-26-51)56-40-39-48-44-61-63-47-67(72(54-31-15-5-16-32-54)55-33-17-6-18-34-55)62-46-57(71(52-27-11-3-12-28-52)53-29-13-4-14-30-53)41-42-60(62)68(63)69(66(61)45-49(48)43-56)64-37-21-19-35-58(64)59-36-20-22-38-65(59)69/h5-46H,1-4H3;1-47H.

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',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine?

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',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine has a molecular weight of 1933.58 g/mol, XLogP of 35.63, 15 rotatable bonds, 0 hydrogen bond donors, and 5 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;7-N',7-N',17-N',17-N',20-N',20-N'-hexakis-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7',17',20'-triamine is sourced from PubChem (CID 157309652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).