2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

C28H28Ge — CID 177264701

IUPAC2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESCC1(C)c2cccc3cccc(c23)C(C)(C)[Ge]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28Ge/c1-27(2)24-19-11-13-21-14-12-20-25(26(21)24)28(3,4)29(27,22-15-7-5-8-16-22)23-17-9-6-10-18-23/h5-20H,1-4H3
InChIKeyIZEMJRLYBYDKIJ-UHFFFAOYSA-N
MW437.14 g/mol
LogP5.75
Rot. Bonds2

About 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (PubChem CID 177264701) has the molecular formula C28H28Ge and a molecular weight of 437.14 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
PubChem CID177264701
Molecular FormulaC28H28Ge
Molecular Weight437.14 g/mol
Exact Mass438.14
IUPAC Name2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESCC1(C)c2cccc3cccc(c23)C(C)(C)[Ge]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28Ge/c1-27(2)24-19-11-13-21-14-12-20-25(26(21)24)28(3,4)29(27,22-15-7-5-8-16-22)23-17-9-6-10-18-23/h5-20H,1-4H3
InChIKeyIZEMJRLYBYDKIJ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.14
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The IUPAC name of 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (CID 177264701) is 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.
What is the SMILES notation for 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The canonical SMILES for 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is CC1(C)c2cccc3cccc(c23)C(C)(C)[Ge]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The InChIKey is IZEMJRLYBYDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Ge/c1-27(2)24-19-11-13-21-14-12-20-25(26(21)24)28(3,4)29(27,22-15-7-5-8-16-22)23-17-9-6-10-18-23/h5-20H,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene has a molecular weight of 437.14 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3,3-diphenyl-3-germatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is sourced from PubChem (CID 177264701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).