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

C48H41N3Si — CID 117069357

IUPAC3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
SMILESCNC1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3C4NC)c3ccc4c(c3)-c3ccccc3C4NC)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
InChIKeyUCEYGWJNUYEBNN-UHFFFAOYSA-N
MW687.96 g/mol
LogP6.93
Rot. Bonds7

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

3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine (PubChem CID 117069357) has the molecular formula C48H41N3Si and a molecular weight of 687.96 g/mol. Its IUPAC name is 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine.

Molecular Properties

Compound Name3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
PubChem CID117069357
Molecular FormulaC48H41N3Si
Molecular Weight687.96 g/mol
Exact Mass687.31
IUPAC Name3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine
SMILESCNC1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3C4NC)c3ccc4c(c3)-c3ccccc3C4NC)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
InChIKeyUCEYGWJNUYEBNN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
The IUPAC name of 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine (CID 117069357) is 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine.
What is the SMILES notation for 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
The canonical SMILES for 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine is CNC1c2ccccc2-c2cc([Si](c3ccccc3)(c3ccc4c(c3)-c3ccccc3C4NC)c3ccc4c(c3)-c3ccccc3C4NC)ccc21.
What is the InChIKey of 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
The InChIKey is UCEYGWJNUYEBNN-UHFFFAOYSA-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.
What are the key properties of 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine?
3-[bis[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 3-[bis[9-(methylamino)-9H-fluoren-3-yl]-phenylsilyl]-N-methyl-9H-fluoren-9-amine is sourced from PubChem (CID 117069357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).