5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine

C57H41NSi — CID 170522928

IUPAC5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C57H41NSi/c1-59(2)55-31-17-12-26-48(55)49-35-33-40(37-56(49)59)58(39-32-34-45-43-22-7-6-20-41(43)42-21-8-9-23-44(42)50(45)36-39)54-30-16-15-29-53(54)57(38-18-4-3-5-19-38)51-27-13-10-24-46(51)47-25-11-14-28-52(47)57/h3-37H,1-2H3
InChIKeyDPFMNPMQINGHKH-UHFFFAOYSA-N
MW768.05 g/mol
LogP13.78
Rot. Bonds5

About 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine

5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine (PubChem CID 170522928) has the molecular formula C57H41NSi and a molecular weight of 768.05 g/mol. Its IUPAC name is 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine
PubChem CID170522928
Molecular FormulaC57H41NSi
Molecular Weight768.05 g/mol
Exact Mass767.30
IUPAC Name5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C57H41NSi/c1-59(2)55-31-17-12-26-48(55)49-35-33-40(37-56(49)59)58(39-32-34-45-43-22-7-6-20-41(43)42-21-8-9-23-44(42)50(45)36-39)54-30-16-15-29-53(54)57(38-18-4-3-5-19-38)51-27-13-10-24-46(51)47-25-11-14-28-52(47)57/h3-37H,1-2H3
InChIKeyDPFMNPMQINGHKH-UHFFFAOYSA-N
XLogP13.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.05
LogP ≤ 513.78
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_3', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine with MolForge

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Related Compounds

5,5-dimethyl-N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522931
N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522930
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481221
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 165158322
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N,N-bis(9,9-diphenylfluoren-4-yl)triphenylen-2-amine
CID 159512950
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391816
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
CID 170522918
N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 170929734
5,5-dimethyl-N,N-di(phenanthren-9-yl)benzo[b][1]benzosilol-3-amine
CID 140728881
N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308572
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine?
The IUPAC name of 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine (CID 170522928) is 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine?
The InChIKey is DPFMNPMQINGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NSi/c1-59(2)55-31-17-12-26-48(55)49-35-33-40(37-56(49)59)58(39-32-34-45-43-22-7-6-20-41(43)42-21-8-9-23-44(42)50(45)36-39)54-30-16-15-29-53(54)57(38-18-4-3-5-19-38)51-27-13-10-24-46(51)47-25-11-14-28-52(47)57/h3-37H,1-2H3.
What are the key properties of 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine?
5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine has a molecular weight of 768.05 g/mol, XLogP of 13.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 170522928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).