1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol

C34H28N4O — CID 135597564

IUPAC1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol
SMILESCc1cc(C)c2cc(/N=N/c3ccc(/N=N/c4c(O)c(C)cc5cc(C)ccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C34H28N4O/c1-20-9-12-27-25(16-20)18-23(4)34(39)33(27)38-37-32-14-13-31(28-7-5-6-8-29(28)32)36-35-26-11-10-24-17-21(2)15-22(3)30(24)19-26/h5-19,39H,1-4H3/b36-35+,38-37+
InChIKeyBBYLUZUBWIEZOA-JKWOPUAESA-N
MW508.63 g/mol
LogP10.92
Rot. Bonds4

About 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol

1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol (PubChem CID 135597564) has the molecular formula C34H28N4O and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol
PubChem CID135597564
Molecular FormulaC34H28N4O
Molecular Weight508.63 g/mol
Exact Mass508.23
IUPAC Name1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol
SMILESCc1cc(C)c2cc(/N=N/c3ccc(/N=N/c4c(O)c(C)cc5cc(C)ccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C34H28N4O/c1-20-9-12-27-25(16-20)18-23(4)34(39)33(27)38-37-32-14-13-31(28-7-5-6-8-29(28)32)36-35-26-11-10-24-17-21(2)15-22(3)30(24)19-26/h5-19,39H,1-4H3/b36-35+,38-37+
InChIKeyBBYLUZUBWIEZOA-JKWOPUAESA-N
XLogP10.92
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[(3,4-dimethylphenyl)diazenyl]-3-methylnaphthalen-2-ol
CID 135597429
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
CID 137143767
2-[[2-hydroxy-4-[[4-[[4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-6-methylnaphthalen-1-ol
CID 137279923
2-[(1-hydroxy-3,6-dimethylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid
CID 135714424
7-amino-2-[(7-methyl-4-phenyldiazenylnaphthalen-1-yl)diazenyl]-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 135968686
4-[[2-[(2,4-dimethylphenyl)diazenyl]-4,6-dimethylphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136863141
2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
CID 154145650
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
3-[[4-[(2,4-dimethylphenyl)diazenyl]-7-methylnaphthalen-1-yl]diazenyl]-7-methylnaphthalene-1,5-disulfonic acid
CID 18343815
barium(2+);bis(3-hydroxy-4-[[2-[hydroxy(oxo)azaniumyl]-4-methylphenyl]diazenyl]naphthalene-2-sulfonate)
CID 136855882

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol?
The IUPAC name of 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol (CID 135597564) is 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol.
What is the SMILES notation for 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol?
The canonical SMILES for 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol is Cc1cc(C)c2cc(/N=N/c3ccc(/N=N/c4c(O)c(C)cc5cc(C)ccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol?
The InChIKey is BBYLUZUBWIEZOA-JKWOPUAESA-N. The full InChI is InChI=1S/C34H28N4O/c1-20-9-12-27-25(16-20)18-23(4)34(39)33(27)38-37-32-14-13-31(28-7-5-6-8-29(28)32)36-35-26-11-10-24-17-21(2)15-22(3)30(24)19-26/h5-19,39H,1-4H3/b36-35+,38-37+.
What are the key properties of 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol?
1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol has a molecular weight of 508.63 g/mol, XLogP of 10.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(6,8-dimethylnaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-3,6-dimethylnaphthalen-2-ol is sourced from PubChem (CID 135597564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).