6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine

C31H28N2 — CID 166501434

IUPAC6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine
SMILES[2H]C([2H])([2H])c1nnc(-c2cc(C(C)(C)C)c3ccccc3c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H28N2/c1-21-28(24-16-14-23(15-17-24)22-10-6-5-7-11-22)20-30(33-32-21)26-18-25-12-8-9-13-27(25)29(19-26)31(2,3)4/h5-20H,1-4H3/i1D3
InChIKeyHDBDRAAWBWJRCL-FIBGUPNXSA-N
MW431.60 g/mol
LogP8.24
Rot. Bonds4

About 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine

6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine (PubChem CID 166501434) has the molecular formula C31H28N2 and a molecular weight of 431.60 g/mol. Its IUPAC name is 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine.

Molecular Properties

Compound Name6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine
PubChem CID166501434
Molecular FormulaC31H28N2
Molecular Weight431.60 g/mol
Exact Mass431.24
IUPAC Name6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine
SMILES[2H]C([2H])([2H])c1nnc(-c2cc(C(C)(C)C)c3ccccc3c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H28N2/c1-21-28(24-16-14-23(15-17-24)22-10-6-5-7-11-22)20-30(33-32-21)26-18-25-12-8-9-13-27(25)29(19-26)31(2,3)4/h5-20H,1-4H3/i1D3
InChIKeyHDBDRAAWBWJRCL-FIBGUPNXSA-N
XLogP8.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-3-methyl-4-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]pyridazine
CID 164729416
2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
CID 156665321
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
10-tert-butyl-3-phenylphenanthrene
CID 164811784
1-(4-tert-butylnaphthalen-2-yl)-4-methyl-5-(trifluoromethyl)benzo[g]phthalazine
CID 155760281
2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;methane;(4-phenylphenyl)boronic acid
CID 164958549
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
CID 167354672
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
4-(1-benzofuran-7-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171742214
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
4-(1-benzothiophen-5-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741885

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine?
The IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine (CID 166501434) is 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine.
What is the SMILES notation for 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine?
The canonical SMILES for 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine is [2H]C([2H])([2H])c1nnc(-c2cc(C(C)(C)C)c3ccccc3c2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine?
The InChIKey is HDBDRAAWBWJRCL-FIBGUPNXSA-N. The full InChI is InChI=1S/C31H28N2/c1-21-28(24-16-14-23(15-17-24)22-10-6-5-7-11-22)20-30(33-32-21)26-18-25-12-8-9-13-27(25)29(19-26)31(2,3)4/h5-20H,1-4H3/i1D3.
What are the key properties of 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine?
6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine has a molecular weight of 431.60 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine is sourced from PubChem (CID 166501434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).