24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene

About 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene

24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene (PubChem CID 153438067) has the molecular formula C54H31NSSi and a molecular weight of 754.00 g/mol. Its IUPAC name is 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene.

Molecular Properties

Compound Name	24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene
PubChem CID	153438067
Molecular Formula	C54H31NSSi
Molecular Weight	754.00 g/mol
Exact Mass	753.19
IUPAC Name	24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene
SMILES	c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c(-c3ccc4c(c3)c3cccc5c6cccc7sc8cccc(c9ccccc9n4c53)c8c76)cccc21
InChI	InChI=1S/C54H31NSSi/c1-5-22-43-34(13-1)37-18-10-23-45-52(37)53-38(19-11-24-46(53)56-45)39-20-9-21-40-42-31-32(29-30-44(42)55(43)54(39)40)33-17-12-28-50-51(33)41-16-4-8-27-49(41)57(50)47-25-6-2-14-35(47)36-15-3-7-26-48(36)57/h1-31H
InChIKey	ZCVNUGLNQYFEBW-UHFFFAOYSA-N
XLogP	11.93
TPSA	4.41 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	57
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.00
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene?

The IUPAC name of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene (CID 153438067) is 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene.

What is the SMILES notation for 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene?

The canonical SMILES for 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene is c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2c(-c3ccc4c(c3)c3cccc5c6cccc7sc8cccc(c9ccccc9n4c53)c8c76)cccc21.

What is the InChIKey of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene?

The InChIKey is ZCVNUGLNQYFEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NSSi/c1-5-22-43-34(13-1)37-18-10-23-45-52(37)53-38(19-11-24-46(53)56-45)39-20-9-21-40-42-31-32(29-30-44(42)55(43)54(39)40)33-17-12-28-50-51(33)41-16-4-8-27-49(41)57(50)47-25-6-2-14-35(47)36-15-3-7-26-48(36)57/h1-31H.

What are the key properties of 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene?

24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene has a molecular weight of 754.00 g/mol, XLogP of 11.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(5,5'-spirobi[benzo[b][1]benzosilole]-1'-yl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene is sourced from PubChem (CID 153438067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).