N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine

C57H46N2Si — CID 168726066

IUPACN-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cccc21
InChIInChI=1S/C57H46N2Si/c1-57(2)53-35-19-18-34-52(53)56-54(57)36-21-37-55(56)59(45-26-12-5-13-27-45)47-28-20-33-51(42-47)60(48-29-14-6-15-30-48,49-31-16-7-17-32-49)50-40-38-46(39-41-50)58(43-22-8-3-9-23-43)44-24-10-4-11-25-44/h3-42H,1-2H3
InChIKeyWXZLQPDOWQJIBC-UHFFFAOYSA-N
MW787.10 g/mol
LogP12.31
Rot. Bonds10

About N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine

N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine (PubChem CID 168726066) has the molecular formula C57H46N2Si and a molecular weight of 787.10 g/mol. Its IUPAC name is N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine.

Molecular Properties

Compound NameN-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
PubChem CID168726066
Molecular FormulaC57H46N2Si
Molecular Weight787.10 g/mol
Exact Mass786.34
IUPAC NameN-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cccc21
InChIInChI=1S/C57H46N2Si/c1-57(2)53-35-19-18-34-52(53)56-54(57)36-21-37-55(56)59(45-26-12-5-13-27-45)47-28-20-33-51(42-47)60(48-29-14-6-15-30-48,49-31-16-7-17-32-49)50-40-38-46(39-41-50)58(43-22-8-3-9-23-43)44-24-10-4-11-25-44/h3-42H,1-2H3
InChIKeyWXZLQPDOWQJIBC-UHFFFAOYSA-N
XLogP12.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.10
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725930
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725987
1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662
9,9-dimethyl-N-[3-[[2-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725952
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123165581
9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123205402
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928

Frequently Asked Questions

What is the IUPAC name of N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
The IUPAC name of N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine (CID 168726066) is N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine.
What is the SMILES notation for N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
The canonical SMILES for N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cccc21.
What is the InChIKey of N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
The InChIKey is WXZLQPDOWQJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N2Si/c1-57(2)53-35-19-18-34-52(53)56-54(57)36-21-37-55(56)59(45-26-12-5-13-27-45)47-28-20-33-51(42-47)60(48-29-14-6-15-30-48,49-31-16-7-17-32-49)50-40-38-46(39-41-50)58(43-22-8-3-9-23-43)44-24-10-4-11-25-44/h3-42H,1-2H3.
What are the key properties of N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine has a molecular weight of 787.10 g/mol, XLogP of 12.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine is sourced from PubChem (CID 168726066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).