6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol

C28H20Br2N4O2 — CID 2749675

IUPAC6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol
SMILESCc1cc(C)c(/N=N/c2c(O)ccc3cc(Br)ccc23)cc1/N=N/c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C28H20Br2N4O2/c1-15-11-16(2)24(32-34-28-22-8-6-20(30)13-18(22)4-10-26(28)36)14-23(15)31-33-27-21-7-5-19(29)12-17(21)3-9-25(27)35/h3-14,35-36H,1-2H3/b33-31+,34-32+
InChIKeyIXNDVNHTHMKJMN-FMWAKIAMSA-N
MW604.30 g/mol
LogP10.38
Rot. Bonds4

About 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol

6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol (PubChem CID 2749675) has the molecular formula C28H20Br2N4O2 and a molecular weight of 604.30 g/mol. Its IUPAC name is 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol
PubChem CID2749675
Molecular FormulaC28H20Br2N4O2
Molecular Weight604.30 g/mol
Exact Mass602.00
IUPAC Name6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol
SMILESCc1cc(C)c(/N=N/c2c(O)ccc3cc(Br)ccc23)cc1/N=N/c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C28H20Br2N4O2/c1-15-11-16(2)24(32-34-28-22-8-6-20(30)13-18(22)4-10-26(28)36)14-23(15)31-33-27-21-7-5-19(29)12-17(21)3-9-25(27)35/h3-14,35-36H,1-2H3/b33-31+,34-32+
InChIKeyIXNDVNHTHMKJMN-FMWAKIAMSA-N
XLogP10.38
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.30
LogP ≤ 510.38
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

Sudan II
CID 18386
1-[2-(4-Bromophenyl)diazenyl]-2-naphthalenol
CID 250859
Dichlotran K
CID 127701
2-Naphthalenol, 1,1'-((phenylmethylene)bis((2-methyl-4,1-phenylene)azo))bis-
CID 105259
(1,1'-(Biphenyl-4,4'-diylbis(diazene-2,1-diyl))dinaphthalen-2-ol)
CID 136250532
2-Naphthalenol, 1-(2-(4-((4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-2,5-dimethylphenyl)phenylmethyl)-2-methylphenyl)diazenyl)-
CID 105261
1-[[2,3,5-Trideuterio-4,6-bis(trideuteriomethyl)phenyl]diazenyl]naphthalen-2-ol
CID 136854592
1-[[4-[[4-[(2-Hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol
CID 136830279
2-Naphthalenol, 1-[(3-bromophenyl)azo]-
CID 588869
1-[(2-Hydroxynaphthalen-1-yl)diazenyl]-4-methylnaphthalen-2-ol
CID 135718504
1-[[2-Methyl-3-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol
CID 135801928
1-[(5-Bromo-2-hydroxyphenyl)diazenyl]-6-methylnaphthalen-2-ol;nickel
CID 136022878

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol (CID 2749675) is 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol is Cc1cc(C)c(/N=N/c2c(O)ccc3cc(Br)ccc23)cc1/N=N/c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol?
The InChIKey is IXNDVNHTHMKJMN-FMWAKIAMSA-N. The full InChI is InChI=1S/C28H20Br2N4O2/c1-15-11-16(2)24(32-34-28-22-8-6-20(30)13-18(22)4-10-26(28)36)14-23(15)31-33-27-21-7-5-19(29)12-17(21)3-9-25(27)35/h3-14,35-36H,1-2H3/b33-31+,34-32+.
What are the key properties of 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol?
6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol has a molecular weight of 604.30 g/mol, XLogP of 10.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 2749675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).