CID 68800956

C37H42Br2O2Si2 — CID 68800956

IUPAC—
SMILESC[Si](C)Oc1cc(C(C)(C)C)ccc1C1(c2ccc(C(C)(C)C)cc2O[Si](C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H42Br2O2Si2/c1-35(2,3)23-11-17-29(33(19-23)40-42(7)8)37(30-18-12-24(36(4,5)6)20-34(30)41-43(9)10)31-21-25(38)13-15-27(31)28-16-14-26(39)22-32(28)37/h11-22H,1-10H3
InChIKeyDZCXHSMWBRARGR-UHFFFAOYSA-N
MW734.72 g/mol
LogP11.43
Rot. Bonds6

About CID 68800956

CID 68800956 (PubChem CID 68800956) has the molecular formula C37H42Br2O2Si2 and a molecular weight of 734.72 g/mol.

Molecular Properties

Compound NameCID 68800956
PubChem CID68800956
Molecular FormulaC37H42Br2O2Si2
Molecular Weight734.72 g/mol
Exact Mass732.11
IUPAC Name—
SMILESC[Si](C)Oc1cc(C(C)(C)C)ccc1C1(c2ccc(C(C)(C)C)cc2O[Si](C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H42Br2O2Si2/c1-35(2,3)23-11-17-29(33(19-23)40-42(7)8)37(30-18-12-24(36(4,5)6)20-34(30)41-43(9)10)31-21-25(38)13-15-27(31)28-16-14-26(39)22-32(28)37/h11-22H,1-10H3
InChIKeyDZCXHSMWBRARGR-UHFFFAOYSA-N
XLogP11.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.72
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
CID 170180910
2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 59718361
CID 70280066
CID 70280066
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-17'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene];17'-bromo-10'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 158023703
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
CID 88907804
CID 88907804
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2,7-dibromo-9,10-bis(4-tert-butylphenyl)phenanthrene-9,10-diol;2,7-dibromo-10,10-bis(4-tert-butylphenyl)phenanthren-9-one
CID 159551451
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
CID 166511751

Frequently Asked Questions

What is the IUPAC name of CID 68800956?
The IUPAC name of CID 68800956 (CID 68800956) is not available.
What is the SMILES notation for CID 68800956?
The canonical SMILES for CID 68800956 is C[Si](C)Oc1cc(C(C)(C)C)ccc1C1(c2ccc(C(C)(C)C)cc2O[Si](C)C)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of CID 68800956?
The InChIKey is DZCXHSMWBRARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42Br2O2Si2/c1-35(2,3)23-11-17-29(33(19-23)40-42(7)8)37(30-18-12-24(36(4,5)6)20-34(30)41-43(9)10)31-21-25(38)13-15-27(31)28-16-14-26(39)22-32(28)37/h11-22H,1-10H3.
What are the key properties of CID 68800956?
CID 68800956 has a molecular weight of 734.72 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68800956 is sourced from PubChem (CID 68800956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).