10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine

C47H46N2Si — CID 145010304

IUPAC10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
SMILESCCC[Si]1(CC)c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C47H46N2Si/c1-7-29-50(8-2)44-27-25-32(48-40-21-13-9-17-36(40)46(3,4)37-18-10-14-22-41(37)48)30-34(44)35-31-33(26-28-45(35)50)49-42-23-15-11-19-38(42)47(5,6)39-20-12-16-24-43(39)49/h9-28,30-31H,7-8,29H2,1-6H3
InChIKeyWBSKCZBNNRVGJF-UHFFFAOYSA-N
MW666.99 g/mol
LogP11.88
Rot. Bonds5

About 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine

10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine (PubChem CID 145010304) has the molecular formula C47H46N2Si and a molecular weight of 666.99 g/mol. Its IUPAC name is 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
PubChem CID145010304
Molecular FormulaC47H46N2Si
Molecular Weight666.99 g/mol
Exact Mass666.34
IUPAC Name10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
SMILESCCC[Si]1(CC)c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C47H46N2Si/c1-7-29-50(8-2)44-27-25-32(48-40-21-13-9-17-36(40)46(3,4)37-18-10-14-22-41(37)48)30-34(44)35-31-33(26-28-45(35)50)49-42-23-15-11-19-38(42)47(5,6)39-20-12-16-24-43(39)49/h9-28,30-31H,7-8,29H2,1-6H3
InChIKeyWBSKCZBNNRVGJF-UHFFFAOYSA-N
XLogP11.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.99
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
CID 145010410
5-[10-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline
CID 153440629
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
CID 59399664
9',9'-dimethyl-10-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177278389
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
CID 166025201
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
CID 153320402
12',12'-dimethyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,5'-tetracene]
CID 177278071

Frequently Asked Questions

What is the IUPAC name of 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine (CID 145010304) is 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine is CCC[Si]1(CC)c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.
What is the InChIKey of 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
The InChIKey is WBSKCZBNNRVGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N2Si/c1-7-29-50(8-2)44-27-25-32(48-40-21-13-9-17-36(40)46(3,4)37-18-10-14-22-41(37)48)30-34(44)35-31-33(26-28-45(35)50)49-42-23-15-11-19-38(42)47(5,6)39-20-12-16-24-43(39)49/h9-28,30-31H,7-8,29H2,1-6H3.
What are the key properties of 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine?
10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine has a molecular weight of 666.99 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(9,9-dimethylacridin-10-yl)-5-ethyl-5-propylbenzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine is sourced from PubChem (CID 145010304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).