8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol

C24H21N5O — CID 135733615

IUPAC8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
SMILESCc1cc2cc(C)c(/N=N/c3ccccc3)c(O)c2c(N)c1/N=N/c1ccccc1
InChIInChI=1S/C24H21N5O/c1-15-13-17-14-16(2)23(29-27-19-11-7-4-8-12-19)24(30)20(17)21(25)22(15)28-26-18-9-5-3-6-10-18/h3-14,30H,25H2,1-2H3/b28-26+,29-27+
InChIKeyGKMVAUIYVZSDQD-TUUFZWAFSA-N
MW395.47 g/mol
LogP7.58
Rot. Bonds4

About 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol

8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol (PubChem CID 135733615) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Name8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
PubChem CID135733615
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
SMILESCc1cc2cc(C)c(/N=N/c3ccccc3)c(O)c2c(N)c1/N=N/c1ccccc1
InChIInChI=1S/C24H21N5O/c1-15-13-17-14-16(2)23(29-27-19-11-7-4-8-12-19)24(30)20(17)21(25)22(15)28-26-18-9-5-3-6-10-18/h3-14,30H,25H2,1-2H3/b28-26+,29-27+
InChIKeyGKMVAUIYVZSDQD-TUUFZWAFSA-N
XLogP7.58
TPSA95.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol
CID 135714413
8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
CID 136649512
4-[[1-amino-7-[[4-(2,2-dimethoxy-2-phenylacetyl)phenyl]diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-2-yl]diazenyl]benzonitrile
CID 136613538
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
CID 137221161
CID 137221161
4-amino-3-[[4-[[4-[(1-amino-8-hydroxy-7-phenyldiazenyl-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135571061
8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135815835
4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136658587
disodium;5-amino-4-hydroxy-3-[(2-methylphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135755687
5-amino-3,6-bis[[4-[2-(dibutylamino)ethylsulfonyl]phenyl]diazenyl]-4-hydroxy-7-methylnaphthalene-2-sulfonic acid
CID 165013681
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
The IUPAC name of 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol (CID 135733615) is 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol.
What is the SMILES notation for 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
The canonical SMILES for 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol is Cc1cc2cc(C)c(/N=N/c3ccccc3)c(O)c2c(N)c1/N=N/c1ccccc1.
What is the InChIKey of 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
The InChIKey is GKMVAUIYVZSDQD-TUUFZWAFSA-N. The full InChI is InChI=1S/C24H21N5O/c1-15-13-17-14-16(2)23(29-27-19-11-7-4-8-12-19)24(30)20(17)21(25)22(15)28-26-18-9-5-3-6-10-18/h3-14,30H,25H2,1-2H3/b28-26+,29-27+.
What are the key properties of 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol has a molecular weight of 395.47 g/mol, XLogP of 7.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 135733615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).