[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane

C30H35GeN — CID 171764411

IUPAC[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
SMILESCc1cc([Ge](C)(C)C)ccc1-c1cc(-c2cc(C(C)(C)C)c3ccccc3c2)ncc1C
InChIInChI=1S/C30H35GeN/c1-20-15-24(31(6,7)8)13-14-25(20)27-18-29(32-19-21(27)2)23-16-22-11-9-10-12-26(22)28(17-23)30(3,4)5/h9-19H,1-8H3
InChIKeyVTUVYXVXCLLMRP-UHFFFAOYSA-N
MW482.23 g/mol
LogP8.03
Rot. Bonds3

About [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane

[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane (PubChem CID 171764411) has the molecular formula C30H35GeN and a molecular weight of 482.23 g/mol. Its IUPAC name is [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane.

Molecular Properties

Compound Name[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
PubChem CID171764411
Molecular FormulaC30H35GeN
Molecular Weight482.23 g/mol
Exact Mass483.20
IUPAC Name[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
SMILESCc1cc([Ge](C)(C)C)ccc1-c1cc(-c2cc(C(C)(C)C)c3ccccc3c2)ncc1C
InChIInChI=1S/C30H35GeN/c1-20-15-24(31(6,7)8)13-14-25(20)27-18-29(32-19-21(27)2)23-16-22-11-9-10-12-26(22)28(17-23)30(3,4)5/h9-19H,1-8H3
InChIKeyVTUVYXVXCLLMRP-UHFFFAOYSA-N
XLogP8.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.23
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane?
The IUPAC name of [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane (CID 171764411) is [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane.
What is the SMILES notation for [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane?
The canonical SMILES for [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane is Cc1cc([Ge](C)(C)C)ccc1-c1cc(-c2cc(C(C)(C)C)c3ccccc3c2)ncc1C.
What is the InChIKey of [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane?
The InChIKey is VTUVYXVXCLLMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35GeN/c1-20-15-24(31(6,7)8)13-14-25(20)27-18-29(32-19-21(27)2)23-16-22-11-9-10-12-26(22)28(17-23)30(3,4)5/h9-19H,1-8H3.
What are the key properties of [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane?
[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane has a molecular weight of 482.23 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane is sourced from PubChem (CID 171764411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).