(9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine

C48H41N3Si — CID 99771335

IUPAC(9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
SMILESCN[C@@H]1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3[C@@H]4NC)c3ccc4c(c3)-c3ccccc3[C@@H]4NC)ccc21
InChIInChI=1S/C48H41N3Si/c1-49-46-37-18-10-7-15-34(37)43-27-31(21-24-40(43)46)52(30-13-5-4-6-14-30,32-22-25-41-44(28-32)35-16-8-11-19-38(35)47(41)50-2)33-23-26-42-45(29-33)36-17-9-12-20-39(36)48(42)51-3/h4-29,46-51H,1-3H3/t46-,47-,48+/m0/s1
InChIKeyUCEYGWJNUYEBNN-UTVRUGRBSA-N
MW687.96 g/mol
LogP6.93
Rot. Bonds7

About (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine

(9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine (PubChem CID 99771335) has the molecular formula C48H41N3Si and a molecular weight of 687.96 g/mol. Its IUPAC name is (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine.

Molecular Properties

Compound Name(9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
PubChem CID99771335
Molecular FormulaC48H41N3Si
Molecular Weight687.96 g/mol
Exact Mass687.31
IUPAC Name(9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
SMILESCN[C@@H]1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3[C@@H]4NC)c3ccc4c(c3)-c3ccccc3[C@@H]4NC)ccc21
InChIInChI=1S/C48H41N3Si/c1-49-46-37-18-10-7-15-34(37)43-27-31(21-24-40(43)46)52(30-13-5-4-6-14-30,32-22-25-41-44(28-32)35-16-8-11-19-38(35)47(41)50-2)33-23-26-42-45(29-33)36-17-9-12-20-39(36)48(42)51-3/h4-29,46-51H,1-3H3/t46-,47-,48+/m0/s1
InChIKeyUCEYGWJNUYEBNN-UTVRUGRBSA-N
XLogP6.93
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.96
LogP ≤ 56.93
H-Bond Donors ≤ 53
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

3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
CID 117069357
[3-[diphenyl-(4-phenylphenyl)silyl]-5-[3-(9H-fluoren-9-yl)-5-phenylphenyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031730
3-[(3-aminophenyl)-diphenylsilyl]aniline
CID 139628514
(3-bromophenyl)-triphenylsilane
CID 158328099
(8-bromo-5,6-dihydronaphthalen-2-yl)-triphenylsilane
CID 71446280
(9,10-dinaphthalen-1-yl-6-triphenylsilylanthracen-2-yl)-triphenylsilane
CID 59348604
triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane
CID 170515999
bis[4-(1-deuteriocyclopentyl)-3-[10-methyl-10-(trideuteriomethyl)benzo[b][1,4]benzoxasilin-4-yl]phenyl]-diphenylsilane
CID 159535111
triphenyl-[3-[4-phenyl-6-[2-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 161126582
[4-carbazol-9-yl-3-[2,5-di(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 177114968
N-methyl-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-9H-fluoren-9-amine
CID 159384134
(9-methyl-6-triphenylsilylcarbazol-3-yl)-triphenylsilane
CID 59270862

Frequently Asked Questions

What is the IUPAC name of (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
The IUPAC name of (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine (CID 99771335) is (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine.
What is the SMILES notation for (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
The canonical SMILES for (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine is CN[C@@H]1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3[C@@H]4NC)c3ccc4c(c3)-c3ccccc3[C@@H]4NC)ccc21.
What is the InChIKey of (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
The InChIKey is UCEYGWJNUYEBNN-UTVRUGRBSA-N. The full InChI is InChI=1S/C48H41N3Si/c1-49-46-37-18-10-7-15-34(37)43-27-31(21-24-40(43)46)52(30-13-5-4-6-14-30,32-22-25-41-44(28-32)35-16-8-11-19-38(35)47(41)50-2)33-23-26-42-45(29-33)36-17-9-12-20-39(36)48(42)51-3/h4-29,46-51H,1-3H3/t46-,47-,48+/m0/s1.
What are the key properties of (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
(9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine has a molecular weight of 687.96 g/mol, XLogP of 6.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3-[bis[(9S)-9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine is sourced from PubChem (CID 99771335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).