2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate

C32H31O5Si- — CID 18175912

IUPAC2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate
SMILESC[Si]1(C)CCCCO1.O=C([O-])Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H18O4.C6H14OSi/c27-19-13-9-17(10-14-19)26(18-11-15-20(16-12-18)30-25(28)29)23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-8(2)6-4-3-5-7-8/h1-16,27H,(H,28,29);3-6H2,1-2H3/p-1
InChIKeySFPPMONPHPHWBF-UHFFFAOYSA-M
MW523.68 g/mol
LogP6.48
Rot. Bonds3

About 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate

2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate (PubChem CID 18175912) has the molecular formula C32H31O5Si- and a molecular weight of 523.68 g/mol. Its IUPAC name is 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate.

Molecular Properties

Compound Name2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate
PubChem CID18175912
Molecular FormulaC32H31O5Si-
Molecular Weight523.68 g/mol
Exact Mass523.19
IUPAC Name2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate
SMILESC[Si]1(C)CCCCO1.O=C([O-])Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H18O4.C6H14OSi/c27-19-13-9-17(10-14-19)26(18-11-15-20(16-12-18)30-25(28)29)23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-8(2)6-4-3-5-7-8/h1-16,27H,(H,28,29);3-6H2,1-2H3/p-1
InChIKeySFPPMONPHPHWBF-UHFFFAOYSA-M
XLogP6.48
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
2-O-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] 5-O-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] thiophene-2,5-dicarboxylate
CID 157291601
bis[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] thiophene-2,5-dicarboxylate
CID 146347020
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxiran-2-ylmethoxycarbonyl oxiran-2-ylmethyl carbonate
CID 87119690
2,2-dimethyloxasilinane;naphthalen-2-ol
CID 174826111
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate?
The IUPAC name of 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate (CID 18175912) is 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate.
What is the SMILES notation for 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate?
The canonical SMILES for 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate is C[Si]1(C)CCCCO1.O=C([O-])Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate?
The InChIKey is SFPPMONPHPHWBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H18O4.C6H14OSi/c27-19-13-9-17(10-14-19)26(18-11-15-20(16-12-18)30-25(28)29)23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-8(2)6-4-3-5-7-8/h1-16,27H,(H,28,29);3-6H2,1-2H3/p-1.
What are the key properties of 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate?
2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate has a molecular weight of 523.68 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxasilinane;[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] carbonate is sourced from PubChem (CID 18175912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).