CID 58741814

C40H42O2Te2- — CID 58741814

IUPAC—
SMILESCc1cccc(C)c1C1=CC(=CC2=C([O-])C(=CC3=CC(c4c(C)cccc4C)=[Te]C(C(C)(C)C)=C3)C2=O)C=C(C(C)(C)C)[Te]1
InChIInChI=1S/C40H43O2Te2/c1-23-13-11-14-24(2)35(23)31-19-27(21-33(43-31)39(5,6)7)17-29-37(41)30(38(29)42)18-28-20-32(44-34(22-28)40(8,9)10)36-25(3)15-12-16-26(36)4/h11-22,41H,1-10H3/p-1
InChIKeySNNBYJNVRFUODK-UHFFFAOYSA-M
MW809.97 g/mol
LogP7.75
Rot. Bonds4

About CID 58741814

CID 58741814 (PubChem CID 58741814) has the molecular formula C40H42O2Te2- and a molecular weight of 809.97 g/mol.

Molecular Properties

Compound NameCID 58741814
PubChem CID58741814
Molecular FormulaC40H42O2Te2-
Molecular Weight809.97 g/mol
Exact Mass814.13
IUPAC Name—
SMILESCc1cccc(C)c1C1=CC(=CC2=C([O-])C(=CC3=CC(c4c(C)cccc4C)=[Te]C(C(C)(C)C)=C3)C2=O)C=C(C(C)(C)C)[Te]1
InChIInChI=1S/C40H43O2Te2/c1-23-13-11-14-24(2)35(23)31-19-27(21-33(43-31)39(5,6)7)17-29-37(41)30(38(29)42)18-28-20-32(44-34(22-28)40(8,9)10)36-25(3)15-12-16-26(36)4/h11-22,41H,1-10H3/p-1
InChIKeySNNBYJNVRFUODK-UHFFFAOYSA-M
XLogP7.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.97
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58741814?
The IUPAC name of CID 58741814 (CID 58741814) is not available.
What is the SMILES notation for CID 58741814?
The canonical SMILES for CID 58741814 is Cc1cccc(C)c1C1=CC(=CC2=C([O-])C(=CC3=CC(c4c(C)cccc4C)=[Te]C(C(C)(C)C)=C3)C2=O)C=C(C(C)(C)C)[Te]1.
What is the InChIKey of CID 58741814?
The InChIKey is SNNBYJNVRFUODK-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H43O2Te2/c1-23-13-11-14-24(2)35(23)31-19-27(21-33(43-31)39(5,6)7)17-29-37(41)30(38(29)42)18-28-20-32(44-34(22-28)40(8,9)10)36-25(3)15-12-16-26(36)4/h11-22,41H,1-10H3/p-1.
What are the key properties of CID 58741814?
CID 58741814 has a molecular weight of 809.97 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58741814 is sourced from PubChem (CID 58741814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).