trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane

C28H29GeN2+ — CID 167365033

IUPACtrimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane
SMILESCc1cc2c(cc1-c1ccc([Ge](C)(C)C)c[n+]1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C28H29GeN2/c1-20-17-28-25(18-24(20)26-16-15-21(19-30(26)5)29(2,3)4)23-13-9-10-14-27(23)31(28)22-11-7-6-8-12-22/h6-19H,1-5H3/q+1
InChIKeyHPVGEGPZYOBXOP-UHFFFAOYSA-N
MW466.16 g/mol
LogP6.13
Rot. Bonds3

About trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane

trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane (PubChem CID 167365033) has the molecular formula C28H29GeN2+ and a molecular weight of 466.16 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane
PubChem CID167365033
Molecular FormulaC28H29GeN2+
Molecular Weight466.16 g/mol
Exact Mass467.15
IUPAC Nametrimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane
SMILESCc1cc2c(cc1-c1ccc([Ge](C)(C)C)c[n+]1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C28H29GeN2/c1-20-17-28-25(18-24(20)26-16-15-21(19-30(26)5)29(2,3)4)23-13-9-10-14-27(23)31(28)22-11-7-6-8-12-22/h6-19H,1-5H3/q+1
InChIKeyHPVGEGPZYOBXOP-UHFFFAOYSA-N
XLogP6.13
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.16
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane?
The IUPAC name of trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane (CID 167365033) is trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane.
What is the SMILES notation for trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane?
The canonical SMILES for trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane is Cc1cc2c(cc1-c1ccc([Ge](C)(C)C)c[n+]1C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane?
The InChIKey is HPVGEGPZYOBXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29GeN2/c1-20-17-28-25(18-24(20)26-16-15-21(19-30(26)5)29(2,3)4)23-13-9-10-14-27(23)31(28)22-11-7-6-8-12-22/h6-19H,1-5H3/q+1.
What are the key properties of trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane?
trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane has a molecular weight of 466.16 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-6-(2-methyl-9-phenylcarbazol-3-yl)pyridin-1-ium-3-yl]germane is sourced from PubChem (CID 167365033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).