1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol

C24H20N4O2 — CID 136671063

IUPAC1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
SMILESCc1ccc(/N=N/c2c(O)ccc3ccc(O)c(/N=N/c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C24H20N4O2/c1-15-3-9-18(10-4-15)25-27-23-20(29)13-7-17-8-14-21(30)24(22(17)23)28-26-19-11-5-16(2)6-12-19/h3-14,29-30H,1-2H3/b27-25+,28-26+
InChIKeyAKWOSBQGRPCOKQ-NBHCHVEOSA-N
MW396.45 g/mol
LogP7.70
Rot. Bonds4

About 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol

1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol (PubChem CID 136671063) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
PubChem CID136671063
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol
SMILESCc1ccc(/N=N/c2c(O)ccc3ccc(O)c(/N=N/c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C24H20N4O2/c1-15-3-9-18(10-4-15)25-27-23-20(29)13-7-17-8-14-21(30)24(22(17)23)28-26-19-11-5-16(2)6-12-19/h3-14,29-30H,1-2H3/b27-25+,28-26+
InChIKeyAKWOSBQGRPCOKQ-NBHCHVEOSA-N
XLogP7.70
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 137235002
CID 137235002
bis(4-methylphenyl)diazene
CID 10389
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
4-[(4-methylphenyl)diazenyl]-2H-benzotriazol-5-ol
CID 135441716
2-(hydroxymethyl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136794284
2-methyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenol;molecular iodine
CID 159049808
7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135758956
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
6,7-dihydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135471441

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol?
The IUPAC name of 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol (CID 136671063) is 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol.
What is the SMILES notation for 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol?
The canonical SMILES for 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol is Cc1ccc(/N=N/c2c(O)ccc3ccc(O)c(/N=N/c4ccc(C)cc4)c23)cc1.
What is the InChIKey of 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol?
The InChIKey is AKWOSBQGRPCOKQ-NBHCHVEOSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-3-9-18(10-4-15)25-27-23-20(29)13-7-17-8-14-21(30)24(22(17)23)28-26-19-11-5-16(2)6-12-19/h3-14,29-30H,1-2H3/b27-25+,28-26+.
What are the key properties of 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol?
1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol has a molecular weight of 396.45 g/mol, XLogP of 7.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[(4-methylphenyl)diazenyl]naphthalene-2,7-diol is sourced from PubChem (CID 136671063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).