ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane

C35H44N4O — CID 136648288

IUPACethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
SMILESC/N=N/c1ccc(/N=N/c2c(C)cc3ccccc3c2O)cc1.CC.CC.CCC.c1ccc2ccccc2c1
InChIInChI=1S/C18H16N4O.C10H8.C3H8.2C2H6/c1-12-11-13-5-3-4-6-16(13)18(23)17(12)22-21-15-9-7-14(8-10-15)20-19-2;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;2*1-2/h3-11,23H,1-2H3;1-8H;3H2,1-2H3;2*1-2H3/b20-19+,22-21+;;;;
InChIKeyQMEKCYHDPZHLEI-ADZLRJDWSA-N
MW536.76 g/mol
LogP12.29
Rot. Bonds3

About ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane

ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane (PubChem CID 136648288) has the molecular formula C35H44N4O and a molecular weight of 536.76 g/mol. Its IUPAC name is ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane.

Molecular Properties

Compound Nameethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
PubChem CID136648288
Molecular FormulaC35H44N4O
Molecular Weight536.76 g/mol
Exact Mass536.35
IUPAC Nameethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
SMILESC/N=N/c1ccc(/N=N/c2c(C)cc3ccccc3c2O)cc1.CC.CC.CCC.c1ccc2ccccc2c1
InChIInChI=1S/C18H16N4O.C10H8.C3H8.2C2H6/c1-12-11-13-5-3-4-6-16(13)18(23)17(12)22-21-15-9-7-14(8-10-15)20-19-2;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;2*1-2/h3-11,23H,1-2H3;1-8H;3H2,1-2H3;2*1-2H3/b20-19+,22-21+;;;;
InChIKeyQMEKCYHDPZHLEI-ADZLRJDWSA-N
XLogP12.29
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 512.29
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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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane?
The IUPAC name of ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane (CID 136648288) is ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane.
What is the SMILES notation for ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane?
The canonical SMILES for ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane is C/N=N/c1ccc(/N=N/c2c(C)cc3ccccc3c2O)cc1.CC.CC.CCC.c1ccc2ccccc2c1.
What is the InChIKey of ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane?
The InChIKey is QMEKCYHDPZHLEI-ADZLRJDWSA-N. The full InChI is InChI=1S/C18H16N4O.C10H8.C3H8.2C2H6/c1-12-11-13-5-3-4-6-16(13)18(23)17(12)22-21-15-9-7-14(8-10-15)20-19-2;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;2*1-2/h3-11,23H,1-2H3;1-8H;3H2,1-2H3;2*1-2H3/b20-19+,22-21+;;;;.
What are the key properties of ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane?
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane has a molecular weight of 536.76 g/mol, XLogP of 12.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane is sourced from PubChem (CID 136648288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).