7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol

C30H41N3O2 — CID 136645866

IUPAC7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol
SMILESCCCCCCCCCCCCCCCOc1ccc2ccc(O)c(/N=N/c3ccccn3)c2c1
InChIInChI=1S/C30H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-35-26-20-18-25-19-21-28(34)30(27(25)24-26)33-32-29-17-14-15-22-31-29/h14-15,17-22,24,34H,2-13,16,23H2,1H3/b33-32+
InChIKeyZYCSIVRTRFSIDR-ULIFNZDWSA-N
MW475.68 g/mol
LogP9.83
Rot. Bonds17

About 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol

7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol (PubChem CID 136645866) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol
PubChem CID136645866
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC Name7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol
SMILESCCCCCCCCCCCCCCCOc1ccc2ccc(O)c(/N=N/c3ccccn3)c2c1
InChIInChI=1S/C30H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-35-26-20-18-25-19-21-28(34)30(27(25)24-26)33-32-29-17-14-15-22-31-29/h14-15,17-22,24,34H,2-13,16,23H2,1H3/b33-32+
InChIKeyZYCSIVRTRFSIDR-ULIFNZDWSA-N
XLogP9.83
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 59.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyridylazo)-2-naphthol
CID 6825
Copper PAN
CID 135884961
5-(Naphthalen-1-yloxymethyl)quinolin-8-ol
CID 44460149
2,7-Naphthalenediol, 1-(5-(1-methylpiperidin-2-yl)-2-pyridylazol)-
CID 171384687
1-(2-Pyridylazo)-2,7-dihydroxynaphthalene
CID 136461959
2-[2-[[7-Hydroxy-4-methyl-8-(pyridin-2-yldiazenyl)chromen-2-ylidene]amino]ethylimino]-4-methyl-8-(pyridin-2-yldiazenyl)chromen-7-ol
CID 136244025
3-{[7-(2,2,2-Trifluoroethoxy)naphthalen-2-yl]oxy}pyridin-2-amine
CID 66747768
Smssf-0625460
CID 4797556
3,4-Dimethyl-2-(pyridin-2-ylazo)-phenol
CID 578612
1-Naphthalenol, 2-[2-(5-methyl-2-pyridinyl)diazenyl]-
CID 135999262
1-Naphthalenol, 6-methoxy-2-[2-(5-nitro-2-pyridinyl)diazenyl]-
CID 136661701
1-Naphthalenol, 4-methyl-2-[2-(3-methyl-2-pyridinyl)diazenyl]-
CID 136662692

Frequently Asked Questions

What is the IUPAC name of 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol (CID 136645866) is 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol is CCCCCCCCCCCCCCCOc1ccc2ccc(O)c(/N=N/c3ccccn3)c2c1.
What is the InChIKey of 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
The InChIKey is ZYCSIVRTRFSIDR-ULIFNZDWSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-35-26-20-18-25-19-21-28(34)30(27(25)24-26)33-32-29-17-14-15-22-31-29/h14-15,17-22,24,34H,2-13,16,23H2,1H3/b33-32+.
What are the key properties of 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol has a molecular weight of 475.68 g/mol, XLogP of 9.83, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentadecoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 136645866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).