10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol

C32H36N4O2 — CID 166793020

IUPAC10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol
SMILESOCCCCCCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C32H36N4O2/c37-24-12-5-3-1-2-4-6-13-25-38-31-23-18-26-14-10-11-17-30(26)32(31)36-35-29-21-19-28(20-22-29)34-33-27-15-8-7-9-16-27/h7-11,14-23,37H,1-6,12-13,24-25H2/b34-33+,36-35+
InChIKeyXUECAKFGGPPWTK-WXBFSDFVSA-N
MW508.67 g/mol
LogP10.16
Rot. Bonds15

About 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol

10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol (PubChem CID 166793020) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol.

Molecular Properties

Compound Name10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol
PubChem CID166793020
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol
SMILESOCCCCCCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C32H36N4O2/c37-24-12-5-3-1-2-4-6-13-25-38-31-23-18-26-14-10-11-17-30(26)32(31)36-35-29-21-19-28(20-22-29)34-33-27-15-8-7-9-16-27/h7-11,14-23,37H,1-6,12-13,24-25H2/b34-33+,36-35+
InChIKeyXUECAKFGGPPWTK-WXBFSDFVSA-N
XLogP10.16
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-[1-[(3-ethynylphenyl)diazenyl]naphthalen-2-yl]oxyhexyl propanoate
CID 139213156
(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
CID 102056826
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
phenyl-(1-phenyldiazenylnaphthalen-2-yl)diazene
CID 22616925
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
(2,4-dimethylphenyl)-(2-tetradecoxynaphthalen-1-yl)diazene
CID 177409908
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017

Frequently Asked Questions

What is the IUPAC name of 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol?
The IUPAC name of 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol (CID 166793020) is 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol.
What is the SMILES notation for 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol?
The canonical SMILES for 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol is OCCCCCCCCCCOc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol?
The InChIKey is XUECAKFGGPPWTK-WXBFSDFVSA-N. The full InChI is InChI=1S/C32H36N4O2/c37-24-12-5-3-1-2-4-6-13-25-38-31-23-18-26-14-10-11-17-30(26)32(31)36-35-29-21-19-28(20-22-29)34-33-27-15-8-7-9-16-27/h7-11,14-23,37H,1-6,12-13,24-25H2/b34-33+,36-35+.
What are the key properties of 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol?
10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol has a molecular weight of 508.67 g/mol, XLogP of 10.16, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]oxydecan-1-ol is sourced from PubChem (CID 166793020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).