2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine

C63H64N8 — CID 162184955

IUPAC2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
SMILESCc1ccc(-c2ccc3ccccc3c2)nc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1cccc2cnncc12.Cc1nncc2ccccc12
InChIInChI=1S/C16H13N.C12H11N.C10H15N.2C9H8N2.C7H9N/c1-12-6-9-16(17-11-12)15-8-7-13-4-2-3-5-14(13)10-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-8-5-6-9(11-7-8)10(2,3)4;1-7-3-2-4-8-5-10-11-6-9(7)8;1-7-9-5-3-2-4-8(9)6-10-11-7;1-6-3-4-7(2)8-5-6/h2-11H,1H3;2-9H,1H3;5-7H,1-4H3;2*2-6H,1H3;3-5H,1-2H3
InChIKeyZPNOVRAFIXSXHU-UHFFFAOYSA-N
MW933.26 g/mol
LogP15.53
Rot. Bonds2

About 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine

2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine (PubChem CID 162184955) has the molecular formula C63H64N8 and a molecular weight of 933.26 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine.

Molecular Properties

Compound Name2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
PubChem CID162184955
Molecular FormulaC63H64N8
Molecular Weight933.26 g/mol
Exact Mass932.53
IUPAC Name2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
SMILESCc1ccc(-c2ccc3ccccc3c2)nc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1cccc2cnncc12.Cc1nncc2ccccc12
InChIInChI=1S/C16H13N.C12H11N.C10H15N.2C9H8N2.C7H9N/c1-12-6-9-16(17-11-12)15-8-7-13-4-2-3-5-14(13)10-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-8-5-6-9(11-7-8)10(2,3)4;1-7-3-2-4-8-5-10-11-6-9(7)8;1-7-9-5-3-2-4-8(9)6-10-11-7;1-6-3-4-7(2)8-5-6/h2-11H,1H3;2-9H,1H3;5-7H,1-4H3;2*2-6H,1H3;3-5H,1-2H3
InChIKeyZPNOVRAFIXSXHU-UHFFFAOYSA-N
XLogP15.53
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.26
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
CID 158297472
2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;7-methylisoquinoline;5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methyl-2-pyridin-3-ylpyridine;7-methylquinoline
CID 160574393
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
5-(2,6-dimethylphenoxy)-2-phenylpyridine
CID 168848324
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
The IUPAC name of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine (CID 162184955) is 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine.
What is the SMILES notation for 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
The canonical SMILES for 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine is Cc1ccc(-c2ccc3ccccc3c2)nc1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1cccc2cnncc12.Cc1nncc2ccccc12.
What is the InChIKey of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
The InChIKey is ZPNOVRAFIXSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C12H11N.C10H15N.2C9H8N2.C7H9N/c1-12-6-9-16(17-11-12)15-8-7-13-4-2-3-5-14(13)10-15;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-8-5-6-9(11-7-8)10(2,3)4;1-7-3-2-4-8-5-10-11-6-9(7)8;1-7-9-5-3-2-4-8(9)6-10-11-7;1-6-3-4-7(2)8-5-6/h2-11H,1H3;2-9H,1H3;5-7H,1-4H3;2*2-6H,1H3;3-5H,1-2H3.
What are the key properties of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine has a molecular weight of 933.26 g/mol, XLogP of 15.53, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine is sourced from PubChem (CID 162184955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).