10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]

C40H29NSi — CID 177278119

IUPAC10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]
SMILESc1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccc(N3c4ccccc4C4(CCC4)c4ccccc43)cc21
InChIInChI=1S/C40H29NSi/c1-8-19-36-28(12-1)29-13-2-9-20-37(29)42(36)38-21-10-3-14-30(38)31-23-22-27(26-39(31)42)41-34-17-6-4-15-32(34)40(24-11-25-40)33-16-5-7-18-35(33)41/h1-10,12-23,26H,11,24-25H2
InChIKeyLZPRDDIPZZAERU-UHFFFAOYSA-N
MW551.77 g/mol
LogP7.28
Rot. Bonds1

About 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]

10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane] (PubChem CID 177278119) has the molecular formula C40H29NSi and a molecular weight of 551.77 g/mol. Its IUPAC name is 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane].

Molecular Properties

Compound Name10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]
PubChem CID177278119
Molecular FormulaC40H29NSi
Molecular Weight551.77 g/mol
Exact Mass551.21
IUPAC Name10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]
SMILESc1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccc(N3c4ccccc4C4(CCC4)c4ccccc43)cc21
InChIInChI=1S/C40H29NSi/c1-8-19-36-28(12-1)29-13-2-9-20-37(29)42(36)38-21-10-3-14-30(38)31-23-22-27(26-39(31)42)41-34-17-6-4-15-32(34)40(24-11-25-40)33-16-5-7-18-35(33)41/h1-10,12-23,26H,11,24-25H2
InChIKeyLZPRDDIPZZAERU-UHFFFAOYSA-N
XLogP7.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.77
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
12',12'-dimethyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,5'-tetracene]
CID 177278071
2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
CID 177278308
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
10-spiro[benzo[b][1]benzosilole-5,5'-naphtho[2,3-b][1]benzosilole]-3'-ylspiro[acridine-9,9'-thioxanthene]
CID 177278326
10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
CID 177278234
7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
CID 177278340
10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]
CID 177278203
9',9'-dimethyl-10-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177278389
10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 177278321
10-(3',7'-ditert-butyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-thioxanthene]
CID 177278333

Frequently Asked Questions

What is the IUPAC name of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]?
The IUPAC name of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane] (CID 177278119) is 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane].
What is the SMILES notation for 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]?
The canonical SMILES for 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane] is c1ccc2c(c1)-c1ccccc1[Si]21c2ccccc2-c2ccc(N3c4ccccc4C4(CCC4)c4ccccc43)cc21.
What is the InChIKey of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]?
The InChIKey is LZPRDDIPZZAERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NSi/c1-8-19-36-28(12-1)29-13-2-9-20-37(29)42(36)38-21-10-3-14-30(38)31-23-22-27(26-39(31)42)41-34-17-6-4-15-32(34)40(24-11-25-40)33-16-5-7-18-35(33)41/h1-10,12-23,26H,11,24-25H2.
What are the key properties of 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane]?
10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane] has a molecular weight of 551.77 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,1'-cyclobutane] is sourced from PubChem (CID 177278119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).