1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol

C33H24N4O2 — CID 159712546

IUPAC1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
SMILESO=Cc1ccc2ccccc2c1/N=N/c1ccccc1.Oc1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C17H12N2O.C16H12N2O/c20-12-14-11-10-13-6-4-5-9-16(13)17(14)19-18-15-7-2-1-3-8-15;19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-12H;1-11,19H/b19-18+;18-17+
InChIKeyMZAHQYNNNAARQN-JXJMMDRVSA-N
MW508.58 g/mol
LogP10.03
Rot. Bonds5

About 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol

1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol (PubChem CID 159712546) has the molecular formula C33H24N4O2 and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol.

Molecular Properties

Compound Name1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
PubChem CID159712546
Molecular FormulaC33H24N4O2
Molecular Weight508.58 g/mol
Exact Mass508.19
IUPAC Name1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
SMILESO=Cc1ccc2ccccc2c1/N=N/c1ccccc1.Oc1ccc2ccccc2c1/N=N/c1ccccc1
InChIInChI=1S/C17H12N2O.C16H12N2O/c20-12-14-11-10-13-6-4-5-9-16(13)17(14)19-18-15-7-2-1-3-8-15;19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-12H;1-11,19H/b19-18+;18-17+
InChIKeyMZAHQYNNNAARQN-JXJMMDRVSA-N
XLogP10.03
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol?
The IUPAC name of 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol (CID 159712546) is 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol.
What is the SMILES notation for 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol?
The canonical SMILES for 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol is O=Cc1ccc2ccccc2c1/N=N/c1ccccc1.Oc1ccc2ccccc2c1/N=N/c1ccccc1.
What is the InChIKey of 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol?
The InChIKey is MZAHQYNNNAARQN-JXJMMDRVSA-N. The full InChI is InChI=1S/C17H12N2O.C16H12N2O/c20-12-14-11-10-13-6-4-5-9-16(13)17(14)19-18-15-7-2-1-3-8-15;19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-12H;1-11,19H/b19-18+;18-17+.
What are the key properties of 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol?
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol has a molecular weight of 508.58 g/mol, XLogP of 10.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol is sourced from PubChem (CID 159712546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).