(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene

C22H24N2 — CID 54187201

IUPAC(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene
SMILESCc1cc(C)c2c(C)c(/N=N/c3ccc(C)c(C)c3)c(C)cc2c1
InChIInChI=1S/C22H24N2/c1-13-9-16(4)21-18(6)22(17(5)11-19(21)10-13)24-23-20-8-7-14(2)15(3)12-20/h7-12H,1-6H3/b24-23+
InChIKeyPFWYIEFHVDLUND-WCWDXBQESA-N
MW316.45 g/mol
LogP7.11
Rot. Bonds2

About (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene

(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene (PubChem CID 54187201) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene
PubChem CID54187201
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene
SMILESCc1cc(C)c2c(C)c(/N=N/c3ccc(C)c(C)c3)c(C)cc2c1
InChIInChI=1S/C22H24N2/c1-13-9-16(4)21-18(6)22(17(5)11-19(21)10-13)24-23-20-8-7-14(2)15(3)12-20/h7-12H,1-6H3/b24-23+
InChIKeyPFWYIEFHVDLUND-WCWDXBQESA-N
XLogP7.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene?
The IUPAC name of (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene (CID 54187201) is (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene.
What is the SMILES notation for (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene?
The canonical SMILES for (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene is Cc1cc(C)c2c(C)c(/N=N/c3ccc(C)c(C)c3)c(C)cc2c1.
What is the InChIKey of (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene?
The InChIKey is PFWYIEFHVDLUND-WCWDXBQESA-N. The full InChI is InChI=1S/C22H24N2/c1-13-9-16(4)21-18(6)22(17(5)11-19(21)10-13)24-23-20-8-7-14(2)15(3)12-20/h7-12H,1-6H3/b24-23+.
What are the key properties of (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene?
(3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene has a molecular weight of 316.45 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1,3,6,8-tetramethylnaphthalen-2-yl)diazene is sourced from PubChem (CID 54187201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).