9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine

C57H45NSi — CID 123877219

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=C[Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C57H45NSi/c1-57(2)54-27-15-14-26-52(54)53-38-37-47(41-55(53)57)58(56-28-16-18-45-17-12-13-25-51(45)56)46-35-33-44(34-36-46)43-31-29-42(30-32-43)39-40-59(48-19-6-3-7-20-48,49-21-8-4-9-22-49)50-23-10-5-11-24-50/h3-41H,1-2H3
InChIKeyHTTWEQSPIJIOQZ-UHFFFAOYSA-N
MW772.08 g/mol
LogP13.01
Rot. Bonds9

About 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 123877219) has the molecular formula C57H45NSi and a molecular weight of 772.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID123877219
Molecular FormulaC57H45NSi
Molecular Weight772.08 g/mol
Exact Mass771.33
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=C[Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C57H45NSi/c1-57(2)54-27-15-14-26-52(54)53-38-37-47(41-55(53)57)58(56-28-16-18-45-17-12-13-25-51(45)56)46-35-33-44(34-36-46)43-31-29-42(30-32-43)39-40-59(48-19-6-3-7-20-48,49-21-8-4-9-22-49)50-23-10-5-11-24-50/h3-41H,1-2H3
InChIKeyHTTWEQSPIJIOQZ-UHFFFAOYSA-N
XLogP13.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.08
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine
CID 59246481
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine (CID 123877219) is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C=C[Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is HTTWEQSPIJIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45NSi/c1-57(2)54-27-15-14-26-52(54)53-38-37-47(41-55(53)57)58(56-28-16-18-45-17-12-13-25-51(45)56)46-35-33-44(34-36-46)43-31-29-42(30-32-43)39-40-59(48-19-6-3-7-20-48,49-21-8-4-9-22-49)50-23-10-5-11-24-50/h3-41H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 772.08 g/mol, XLogP of 13.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 123877219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).