ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide

C44H37N7O4 — CID 136613437

IUPACethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide
SMILESCC.CC(=O)Nc1ccccc1.Oc1ccc2ccccc2c1/N=N/c1ccc(-c2nnc(-c3ccc(/N=N/c4c(O)ccc5ccccc45)cc3)o2)cc1
InChIInChI=1S/C34H22N6O3.C8H9NO.C2H6/c41-29-19-13-21-5-1-3-7-27(21)31(29)37-35-25-15-9-23(10-16-25)33-39-40-34(43-33)24-11-17-26(18-12-24)36-38-32-28-8-4-2-6-22(28)14-20-30(32)42;1-7(10)9-8-5-3-2-4-6-8;1-2/h1-20,41-42H;2-6H,1H3,(H,9,10);1-2H3/b37-35+,38-36+;;
InChIKeyDYNWHPGAMPKQKP-HKXUKFGYSA-N
MW727.83 g/mol
LogP12.62
Rot. Bonds7

About ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide

ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide (PubChem CID 136613437) has the molecular formula C44H37N7O4 and a molecular weight of 727.83 g/mol. Its IUPAC name is ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide.

Molecular Properties

Compound Nameethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide
PubChem CID136613437
Molecular FormulaC44H37N7O4
Molecular Weight727.83 g/mol
Exact Mass727.29
IUPAC Nameethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide
SMILESCC.CC(=O)Nc1ccccc1.Oc1ccc2ccccc2c1/N=N/c1ccc(-c2nnc(-c3ccc(/N=N/c4c(O)ccc5ccccc45)cc3)o2)cc1
InChIInChI=1S/C34H22N6O3.C8H9NO.C2H6/c41-29-19-13-21-5-1-3-7-27(21)31(29)37-35-25-15-9-23(10-16-25)33-39-40-34(43-33)24-11-17-26(18-12-24)36-38-32-28-8-4-2-6-22(28)14-20-30(32)42;1-7(10)9-8-5-3-2-4-6-8;1-2/h1-20,41-42H;2-6H,1H3,(H,9,10);1-2H3/b37-35+,38-36+;;
InChIKeyDYNWHPGAMPKQKP-HKXUKFGYSA-N
XLogP12.62
TPSA157.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.83
LogP ≤ 512.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
1-[[4-[[4-(hydroxymethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-2-ol
CID 149280827
cobalt(2+);bis(4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate);methanol
CID 139171779
CID 170843851
CID 170843851
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
carbanylium;4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
CID 158079681
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]-N-oxobenzenesulfonamide
CID 147622226
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
CID 135462996
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
CID 3082296

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide?
The IUPAC name of ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide (CID 136613437) is ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide.
What is the SMILES notation for ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide?
The canonical SMILES for ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide is CC.CC(=O)Nc1ccccc1.Oc1ccc2ccccc2c1/N=N/c1ccc(-c2nnc(-c3ccc(/N=N/c4c(O)ccc5ccccc45)cc3)o2)cc1.
What is the InChIKey of ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide?
The InChIKey is DYNWHPGAMPKQKP-HKXUKFGYSA-N. The full InChI is InChI=1S/C34H22N6O3.C8H9NO.C2H6/c41-29-19-13-21-5-1-3-7-27(21)31(29)37-35-25-15-9-23(10-16-25)33-39-40-34(43-33)24-11-17-26(18-12-24)36-38-32-28-8-4-2-6-22(28)14-20-30(32)42;1-7(10)9-8-5-3-2-4-6-8;1-2/h1-20,41-42H;2-6H,1H3,(H,9,10);1-2H3/b37-35+,38-36+;;.
What are the key properties of ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide?
ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide has a molecular weight of 727.83 g/mol, XLogP of 12.62, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide is sourced from PubChem (CID 136613437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).