CID 175335662

C46H40Cl2O2Si — CID 175335662

IUPAC—
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccc(Cl)cc3)C2C[Si]CC2C(c3ccc(C)o3)=Cc3c2cc(C)c(C)c3-c2ccc(Cl)cc2)o1
InChIInChI=1S/C46H40Cl2O2Si/c1-25-19-35-39(45(29(25)5)31-9-13-33(47)14-10-31)21-37(43-17-7-27(3)49-43)41(35)23-51-24-42-36-20-26(2)30(6)46(32-11-15-34(48)16-12-32)40(36)22-38(42)44-18-8-28(4)50-44/h7-22,41-42H,23-24H2,1-6H3
InChIKeyHEDTXDTYXPNNGY-UHFFFAOYSA-N
MW723.82 g/mol
LogP13.88
Rot. Bonds8

About CID 175335662

CID 175335662 (PubChem CID 175335662) has the molecular formula C46H40Cl2O2Si and a molecular weight of 723.82 g/mol.

Molecular Properties

Compound NameCID 175335662
PubChem CID175335662
Molecular FormulaC46H40Cl2O2Si
Molecular Weight723.82 g/mol
Exact Mass722.22
IUPAC Name—
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccc(Cl)cc3)C2C[Si]CC2C(c3ccc(C)o3)=Cc3c2cc(C)c(C)c3-c2ccc(Cl)cc2)o1
InChIInChI=1S/C46H40Cl2O2Si/c1-25-19-35-39(45(29(25)5)31-9-13-33(47)14-10-31)21-37(43-17-7-27(3)49-43)41(35)23-51-24-42-36-20-26(2)30(6)46(32-11-15-34(48)16-12-32)40(36)22-38(42)44-18-8-28(4)50-44/h7-22,41-42H,23-24H2,1-6H3
InChIKeyHEDTXDTYXPNNGY-UHFFFAOYSA-N
XLogP13.88
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.82
LogP ≤ 513.88
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

CID 175335661
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CID 175335798
CID 175335676
CID 175335676
2-[4-(3,5-dimethylphenyl)-1-[1-[4-(3,5-dimethylphenyl)-5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-1-yl]siletan-1-yl]-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran
CID 140868337
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CID 175184222
[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine
CID 160654941
2-(5,6-dimethyl-4-phenyl-1H-inden-2-yl)-5-methylfuran
CID 90153293
2-[4-(4-tert-butylphenyl)-5,6-dimethyl-1H-inden-2-yl]-5-methylfuran;dichlorozirconium
CID 174822797
bis(2-[4-(4-chlorophenyl)-5,6-dimethyl-1H-inden-1-id-2-yl]-5-methylfuran);cyclobutylidenezirconium(2+);dichloride
CID 175871726

Frequently Asked Questions

What is the IUPAC name of CID 175335662?
The IUPAC name of CID 175335662 (CID 175335662) is not available.
What is the SMILES notation for CID 175335662?
The canonical SMILES for CID 175335662 is Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccc(Cl)cc3)C2C[Si]CC2C(c3ccc(C)o3)=Cc3c2cc(C)c(C)c3-c2ccc(Cl)cc2)o1.
What is the InChIKey of CID 175335662?
The InChIKey is HEDTXDTYXPNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40Cl2O2Si/c1-25-19-35-39(45(29(25)5)31-9-13-33(47)14-10-31)21-37(43-17-7-27(3)49-43)41(35)23-51-24-42-36-20-26(2)30(6)46(32-11-15-34(48)16-12-32)40(36)22-38(42)44-18-8-28(4)50-44/h7-22,41-42H,23-24H2,1-6H3.
What are the key properties of CID 175335662?
CID 175335662 has a molecular weight of 723.82 g/mol, XLogP of 13.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175335662 is sourced from PubChem (CID 175335662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).