5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine

C39H29NSi — CID 153319770

IUPAC5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine
SMILESC[Si]1(C)c2ccccc2-c2cc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C39H29NSi/c1-41(2)36-21-10-6-14-28(36)30-24-25(22-23-37(30)41)40-35-20-11-19-34-38(35)29-15-5-9-18-33(29)39(34)31-16-7-3-12-26(31)27-13-4-8-17-32(27)39/h3-24,40H,1-2H3
InChIKeyYCLROCVMZMXSGP-UHFFFAOYSA-N
MW539.75 g/mol
LogP8.58
Rot. Bonds2

About 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine

5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine (PubChem CID 153319770) has the molecular formula C39H29NSi and a molecular weight of 539.75 g/mol. Its IUPAC name is 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine
PubChem CID153319770
Molecular FormulaC39H29NSi
Molecular Weight539.75 g/mol
Exact Mass539.21
IUPAC Name5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine
SMILESC[Si]1(C)c2ccccc2-c2cc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C39H29NSi/c1-41(2)36-21-10-6-14-28(36)30-24-25(22-23-37(30)41)40-35-20-11-19-34-38(35)29-15-5-9-18-33(29)39(34)31-16-7-3-12-26(31)27-13-4-8-17-32(27)39/h3-24,40H,1-2H3
InChIKeyYCLROCVMZMXSGP-UHFFFAOYSA-N
XLogP8.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.75
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 142567693
N-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333010
9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 172544682
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine?
The IUPAC name of 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine (CID 153319770) is 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine is C[Si]1(C)c2ccccc2-c2cc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine?
The InChIKey is YCLROCVMZMXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NSi/c1-41(2)36-21-10-6-14-28(36)30-24-25(22-23-37(30)41)40-35-20-11-19-34-38(35)29-15-5-9-18-33(29)39(34)31-16-7-3-12-26(31)27-13-4-8-17-32(27)39/h3-24,40H,1-2H3.
What are the key properties of 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine?
5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine has a molecular weight of 539.75 g/mol, XLogP of 8.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(9,9'-spirobi[fluorene]-4-yl)benzo[b][1]benzosilol-2-amine is sourced from PubChem (CID 153319770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).