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

C51H39NSi — CID 170522918

IUPAC5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
SMILESC[Si]1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cccc21
InChIInChI=1S/C51H39NSi/c1-53(2)48-26-14-11-22-44(48)50-47(25-15-27-49(50)53)52(40-32-28-37(29-33-40)36-16-5-3-6-17-36)41-34-30-39(31-35-41)51(38-18-7-4-8-19-38)45-23-12-9-20-42(45)43-21-10-13-24-46(43)51/h3-35H,1-2H3
InChIKeyLQLSPWRQSNJOAW-UHFFFAOYSA-N
MW693.97 g/mol
LogP11.99
Rot. Bonds6

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

5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine (PubChem CID 170522918) has the molecular formula C51H39NSi and a molecular weight of 693.97 g/mol. Its IUPAC name is 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
PubChem CID170522918
Molecular FormulaC51H39NSi
Molecular Weight693.97 g/mol
Exact Mass693.29
IUPAC Name5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine
SMILESC[Si]1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cccc21
InChIInChI=1S/C51H39NSi/c1-53(2)48-26-14-11-22-44(48)50-47(25-15-27-49(50)53)52(40-32-28-37(29-33-40)36-16-5-3-6-17-36)41-34-30-39(31-35-41)51(38-18-7-4-8-19-38)45-23-12-9-20-42(45)43-21-10-13-24-46(43)51/h3-35H,1-2H3
InChIKeyLQLSPWRQSNJOAW-UHFFFAOYSA-N
XLogP11.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.97
LogP ≤ 511.99
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

9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-(2,5-diphenylphenyl)-5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]benzo[b][1]benzosilol-3-amine
CID 170522930
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-8-phenyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504528
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
5,5-dimethyl-N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]benzo[b][1]benzosilol-1-amine
CID 168810343
N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 176605592
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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
The IUPAC name of 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine (CID 170522918) is 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
The canonical SMILES for 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine is C[Si]1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cccc21.
What is the InChIKey of 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
The InChIKey is LQLSPWRQSNJOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NSi/c1-53(2)48-26-14-11-22-44(48)50-47(25-15-27-49(50)53)52(40-32-28-37(29-33-40)36-16-5-3-6-17-36)41-34-30-39(31-35-41)51(38-18-7-4-8-19-38)45-23-12-9-20-42(45)43-21-10-13-24-46(43)51/h3-35H,1-2H3.
What are the key properties of 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine?
5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine has a molecular weight of 693.97 g/mol, XLogP of 11.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)benzo[b][1]benzosilol-1-amine is sourced from PubChem (CID 170522918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).