5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline

C51H49NSi2 — CID 59183453

IUPAC5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline
SMILESC[Si]1(C)c2ccccc2C2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)[Si](C)(C)c4ccccc4C54CCCC4)c4ncccc34)cc21
InChIInChI=1S/C51H49NSi2/c1-53(2)43-21-9-7-19-39(43)50(27-11-12-28-50)41-25-23-34(32-45(41)53)47-36-16-5-6-17-37(36)48(49-38(47)18-15-31-52-49)35-24-26-42-46(33-35)54(3,4)44-22-10-8-20-40(44)51(42)29-13-14-30-51/h5-10,15-26,31-33H,11-14,27-30H2,1-4H3
InChIKeyLKBIQTLMCFIKEB-UHFFFAOYSA-N
MW732.13 g/mol
LogP10.71
Rot. Bonds2

About 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline

5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline (PubChem CID 59183453) has the molecular formula C51H49NSi2 and a molecular weight of 732.13 g/mol. Its IUPAC name is 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline.

Molecular Properties

Compound Name5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline
PubChem CID59183453
Molecular FormulaC51H49NSi2
Molecular Weight732.13 g/mol
Exact Mass731.34
IUPAC Name5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline
SMILESC[Si]1(C)c2ccccc2C2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)[Si](C)(C)c4ccccc4C54CCCC4)c4ncccc34)cc21
InChIInChI=1S/C51H49NSi2/c1-53(2)43-21-9-7-19-39(43)50(27-11-12-28-50)41-25-23-34(32-45(41)53)47-36-16-5-6-17-37(36)48(49-38(47)18-15-31-52-49)35-24-26-42-46(33-35)54(3,4)44-22-10-8-20-40(44)51(42)29-13-14-30-51/h5-10,15-26,31-33H,11-14,27-30H2,1-4H3
InChIKeyLKBIQTLMCFIKEB-UHFFFAOYSA-N
XLogP10.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.13
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline?
The IUPAC name of 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline (CID 59183453) is 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline.
What is the SMILES notation for 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline?
The canonical SMILES for 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline is C[Si]1(C)c2ccccc2C2(CCCC2)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)[Si](C)(C)c4ccccc4C54CCCC4)c4ncccc34)cc21.
What is the InChIKey of 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline?
The InChIKey is LKBIQTLMCFIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49NSi2/c1-53(2)43-21-9-7-19-39(43)50(27-11-12-28-50)41-25-23-34(32-45(41)53)47-36-16-5-6-17-37(36)48(49-38(47)18-15-31-52-49)35-24-26-42-46(33-35)54(3,4)44-22-10-8-20-40(44)51(42)29-13-14-30-51/h5-10,15-26,31-33H,11-14,27-30H2,1-4H3.
What are the key properties of 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline?
5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline has a molecular weight of 732.13 g/mol, XLogP of 10.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(5,5-dimethylspiro[benzo[b][1]benzosiline-10,1'-cyclopentane]-3-yl)benzo[g]quinoline is sourced from PubChem (CID 59183453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).