N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine

C57H43NSi — CID 170522930

IUPACN-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cc(-c4ccccc4)ccc3-c3ccccc3)cc21
InChIInChI=1S/C57H43NSi/c1-59(2)55-29-17-14-26-50(55)51-37-35-46(39-56(51)59)58(54-38-42(40-18-6-3-7-19-40)30-36-47(54)41-20-8-4-9-21-41)45-33-31-44(32-34-45)57(43-22-10-5-11-23-43)52-27-15-12-24-48(52)49-25-13-16-28-53(49)57/h3-39H,1-2H3
InChIKeyNGBVQHYQHNDYPW-UHFFFAOYSA-N
MW770.06 g/mol
LogP13.66
Rot. Bonds7

About N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine

N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine (PubChem CID 170522930) has the molecular formula C57H43NSi and a molecular weight of 770.06 g/mol. Its IUPAC name is N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound NameN-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
PubChem CID170522930
Molecular FormulaC57H43NSi
Molecular Weight770.06 g/mol
Exact Mass769.32
IUPAC NameN-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cc(-c4ccccc4)ccc3-c3ccccc3)cc21
InChIInChI=1S/C57H43NSi/c1-59(2)55-29-17-14-26-50(55)51-37-35-46(39-56(51)59)58(54-38-42(40-18-6-3-7-19-40)30-36-47(54)41-20-8-4-9-21-41)45-33-31-44(32-34-45)57(43-22-10-5-11-23-43)52-27-15-12-24-48(52)49-25-13-16-28-53(49)57/h3-39H,1-2H3
InChIKeyNGBVQHYQHNDYPW-UHFFFAOYSA-N
XLogP13.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.06
LogP ≤ 513.66
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

5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
CID 170522918
N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169292940
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
5,5-dimethyl-N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522931
5,5-dimethyl-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-triphenylen-2-ylbenzo[b][1]benzosilol-3-amine
CID 170522928
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 176605592
9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 144558373

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine?
The IUPAC name of N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine (CID 170522930) is N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine.
What is the SMILES notation for N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine?
The canonical SMILES for N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3cc(-c4ccccc4)ccc3-c3ccccc3)cc21.
What is the InChIKey of N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine?
The InChIKey is NGBVQHYQHNDYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NSi/c1-59(2)55-29-17-14-26-50(55)51-37-35-46(39-56(51)59)58(54-38-42(40-18-6-3-7-19-40)30-36-47(54)41-20-8-4-9-21-41)45-33-31-44(32-34-45)57(43-22-10-5-11-23-43)52-27-15-12-24-48(52)49-25-13-16-28-53(49)57/h3-39H,1-2H3.
What are the key properties of N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine?
N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine has a molecular weight of 770.06 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 170522930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).