(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene

C32H44N2O — CID 177409908

IUPAC(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
SMILESCCCCCCCCCCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(C)cc1C
InChIInChI=1S/C32H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-35-31-23-21-28-18-15-16-19-29(28)32(31)34-33-30-22-20-26(2)25-27(30)3/h15-16,18-23,25H,4-14,17,24H2,1-3H3/b34-33+
InChIKeyGJQHXEDEZLVAEK-JEIPZWNWSA-N
MW472.72 g/mol
LogP10.95
Rot. Bonds16

About (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene

(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene (PubChem CID 177409908) has the molecular formula C32H44N2O and a molecular weight of 472.72 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
PubChem CID177409908
Molecular FormulaC32H44N2O
Molecular Weight472.72 g/mol
Exact Mass472.35
IUPAC Name(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
SMILESCCCCCCCCCCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(C)cc1C
InChIInChI=1S/C32H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-35-31-23-21-28-18-15-16-19-29(28)32(31)34-33-30-22-20-26(2)25-27(30)3/h15-16,18-23,25H,4-14,17,24H2,1-3H3/b34-33+
InChIKeyGJQHXEDEZLVAEK-JEIPZWNWSA-N
XLogP10.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
CID 137143767
[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]-[1-[2-[[4-[11-[1-(2-octadecoxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]diazenyl]naphthalen-1-yl]naphthalen-2-yl]diazene
CID 102112802
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
CID 2843870
2,3-dihexoxy-1-methylphenanthrene
CID 10069112
1,4-didodecoxynaphthalene
CID 21304164
1-decoxyphenanthrene
CID 140993229
1-bromo-2-nonoxynaphthalene
CID 63529773
15,30-dihexoxy-7,22-bis(2,4,6-trimethylphenyl)octacyclo[21.7.1.18,12.02,21.05,20.06,17.027,31.016,32]dotriaconta-1(30),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27(31),28-hexadecaene
CID 177422600
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol
CID 166793020

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene?
The IUPAC name of (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene (CID 177409908) is (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene.
What is the SMILES notation for (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene?
The canonical SMILES for (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene is CCCCCCCCCCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(C)cc1C.
What is the InChIKey of (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene?
The InChIKey is GJQHXEDEZLVAEK-JEIPZWNWSA-N. The full InChI is InChI=1S/C32H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-17-24-35-31-23-21-28-18-15-16-19-29(28)32(31)34-33-30-22-20-26(2)25-27(30)3/h15-16,18-23,25H,4-14,17,24H2,1-3H3/b34-33+.
What are the key properties of (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene?
(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene has a molecular weight of 472.72 g/mol, XLogP of 10.95, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene is sourced from PubChem (CID 177409908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).