9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine

C61H48N2Si — CID 168725987

IUPAC9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccc5ccccc5c4)c3)ccc21
InChIInChI=1S/C61H48N2Si/c1-61(2)57-35-18-17-34-55(57)56-44-51(40-41-58(56)61)62(47-24-7-3-8-25-47)49-28-21-33-54(43-49)64(52-29-11-5-12-30-52,53-31-13-6-14-32-53)60-37-20-19-36-59(60)63(48-26-9-4-10-27-48)50-39-38-45-22-15-16-23-46(45)42-50/h3-44H,1-2H3
InChIKeySRDUMGBSQTWJBZ-UHFFFAOYSA-N
MW837.16 g/mol
LogP13.46
Rot. Bonds10

About 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine

9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine (PubChem CID 168725987) has the molecular formula C61H48N2Si and a molecular weight of 837.16 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
PubChem CID168725987
Molecular FormulaC61H48N2Si
Molecular Weight837.16 g/mol
Exact Mass836.36
IUPAC Name9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccc5ccccc5c4)c3)ccc21
InChIInChI=1S/C61H48N2Si/c1-61(2)57-35-18-17-34-55(57)56-44-51(40-41-58(56)61)62(47-24-7-3-8-25-47)49-28-21-33-54(43-49)64(52-29-11-5-12-30-52,53-31-13-6-14-32-53)60-37-20-19-36-59(60)63(48-26-9-4-10-27-48)50-39-38-45-22-15-16-23-46(45)42-50/h3-44H,1-2H3
InChIKeySRDUMGBSQTWJBZ-UHFFFAOYSA-N
XLogP13.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.16
LogP ≤ 513.46
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-[[2-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725952
9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725930
N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 168725958
2-[diphenyl-[3-(N-phenylanilino)phenyl]silyl]-N,N-diphenylaniline
CID 168726067
N-[3-[diphenyl-[4-(N-phenylanilino)phenyl]silyl]phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 168726066
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
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-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 167177545
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
12,12,20,20-tetramethyl-2-N,16-N-dinaphthalen-2-yl-2-N,16-N-diphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaene-2,16-diamine
CID 89061931

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine (CID 168725987) is 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccc5ccccc5c4)c3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?
The InChIKey is SRDUMGBSQTWJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N2Si/c1-61(2)57-35-18-17-34-55(57)56-44-51(40-41-58(56)61)62(47-24-7-3-8-25-47)49-28-21-33-54(43-49)64(52-29-11-5-12-30-52,53-31-13-6-14-32-53)60-37-20-19-36-59(60)63(48-26-9-4-10-27-48)50-39-38-45-22-15-16-23-46(45)42-50/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine?
9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine has a molecular weight of 837.16 g/mol, XLogP of 13.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[3-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine is sourced from PubChem (CID 168725987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).