CID 15350639

C46H53GeOSi — CID 15350639

IUPAC—
SMILESCc1cc(C)c([Ge]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([Si](O/C=C\C=C\c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C28H31OSi.C18H22Ge/c1-20-16-22(3)27(23(4)17-20)30(28-24(5)18-21(2)19-25(28)6)29-15-11-10-14-26-12-8-7-9-13-26;1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-19H,1-6H3;7-10H,1-6H3/b14-10+,15-11-;
InChIKeyNDRYHWWPWNCZQV-XWSDGJATSA-N
MW722.63 g/mol
LogP9.08
Rot. Bonds8

About CID 15350639

CID 15350639 (PubChem CID 15350639) has the molecular formula C46H53GeOSi and a molecular weight of 722.63 g/mol.

Molecular Properties

Compound NameCID 15350639
PubChem CID15350639
Molecular FormulaC46H53GeOSi
Molecular Weight722.63 g/mol
Exact Mass723.31
IUPAC Name—
SMILESCc1cc(C)c([Ge]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([Si](O/C=C\C=C\c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C28H31OSi.C18H22Ge/c1-20-16-22(3)27(23(4)17-20)30(28-24(5)18-21(2)19-25(28)6)29-15-11-10-14-26-12-8-7-9-13-26;1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-19H,1-6H3;7-10H,1-6H3/b14-10+,15-11-;
InChIKeyNDRYHWWPWNCZQV-XWSDGJATSA-N
XLogP9.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.63
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 15350639?
The IUPAC name of CID 15350639 (CID 15350639) is not available.
What is the SMILES notation for CID 15350639?
The canonical SMILES for CID 15350639 is Cc1cc(C)c([Ge]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([Si](O/C=C\C=C\c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of CID 15350639?
The InChIKey is NDRYHWWPWNCZQV-XWSDGJATSA-N. The full InChI is InChI=1S/C28H31OSi.C18H22Ge/c1-20-16-22(3)27(23(4)17-20)30(28-24(5)18-21(2)19-25(28)6)29-15-11-10-14-26-12-8-7-9-13-26;1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-19H,1-6H3;7-10H,1-6H3/b14-10+,15-11-;.
What are the key properties of CID 15350639?
CID 15350639 has a molecular weight of 722.63 g/mol, XLogP of 9.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15350639 is sourced from PubChem (CID 15350639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).