N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine

C63H48N2OSi — CID 168725958

IUPACN-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21
InChIInChI=1S/C63H48N2OSi/c1-63(2)57-34-17-15-32-53(57)55-43-49(38-40-58(55)63)65(46-24-9-4-10-25-46)59-35-18-20-37-62(59)67(50-27-11-5-12-28-50,51-29-13-6-14-30-51)52-31-21-26-47(42-52)64(45-22-7-3-8-23-45)48-39-41-61-56(44-48)54-33-16-19-36-60(54)66-61/h3-44H,1-2H3
InChIKeyUNSMDFSTZZCUAO-UHFFFAOYSA-N
MW877.18 g/mol
LogP14.21
Rot. Bonds10

About N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine

N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 168725958) has the molecular formula C63H48N2OSi and a molecular weight of 877.18 g/mol. Its IUPAC name is N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID168725958
Molecular FormulaC63H48N2OSi
Molecular Weight877.18 g/mol
Exact Mass876.35
IUPAC NameN-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21
InChIInChI=1S/C63H48N2OSi/c1-63(2)57-34-17-15-32-53(57)55-43-49(38-40-58(55)63)65(46-24-9-4-10-25-46)59-35-18-20-37-62(59)67(50-27-11-5-12-28-50,51-29-13-6-14-30-51)52-31-21-26-47(42-52)64(45-22-7-3-8-23-45)48-39-41-61-56(44-48)54-33-16-19-36-60(54)66-61/h3-44H,1-2H3
InChIKeyUNSMDFSTZZCUAO-UHFFFAOYSA-N
XLogP14.21
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.18
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[2-(N-naphthalen-2-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725987
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
9,9-dimethyl-N-[3-[[3-(N-naphthalen-1-ylanilino)phenyl]-diphenylsilyl]phenyl]-N-phenylfluoren-3-amine
CID 168725930
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123916118
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine
CID 153124370
5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 122552103
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N-phenyldibenzofuran-2-amine
CID 156554384

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine (CID 168725958) is N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21.
What is the InChIKey of N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is UNSMDFSTZZCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N2OSi/c1-63(2)57-34-17-15-32-53(57)55-43-49(38-40-58(55)63)65(46-24-9-4-10-25-46)59-35-18-20-37-62(59)67(50-27-11-5-12-28-50,51-29-13-6-14-30-51)52-31-21-26-47(42-52)64(45-22-7-3-8-23-45)48-39-41-61-56(44-48)54-33-16-19-36-60(54)66-61/h3-44H,1-2H3.
What are the key properties of N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine?
N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 877.18 g/mol, XLogP of 14.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(N-(9,9-dimethylfluoren-3-yl)anilino)phenyl]-diphenylsilyl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 168725958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).