1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol

C29H25N5O — CID 163854351

IUPAC1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol
SMILESCc1ccc2ccc(O)c(/N=N/c3ccccc3N(Cc3ccccn3)Cc3ccccn3)c2c1
InChIInChI=1S/C29H25N5O/c1-21-12-13-22-14-15-28(35)29(25(22)18-21)33-32-26-10-2-3-11-27(26)34(19-23-8-4-6-16-30-23)20-24-9-5-7-17-31-24/h2-18,35H,19-20H2,1H3/b33-32+
InChIKeySNPFALOPOOEUCE-ULIFNZDWSA-N
MW459.55 g/mol
LogP7.27
Rot. Bonds7

About 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol

1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol (PubChem CID 163854351) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol
PubChem CID163854351
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol
SMILESCc1ccc2ccc(O)c(/N=N/c3ccccc3N(Cc3ccccn3)Cc3ccccn3)c2c1
InChIInChI=1S/C29H25N5O/c1-21-12-13-22-14-15-28(35)29(25(22)18-21)33-32-26-10-2-3-11-27(26)34(19-23-8-4-6-16-30-23)20-24-9-5-7-17-31-24/h2-18,35H,19-20H2,1H3/b33-32+
InChIKeySNPFALOPOOEUCE-ULIFNZDWSA-N
XLogP7.27
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[[2-[[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]-(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,7-diol
CID 166989370
1-[[2-[bis(pyridin-2-ylmethyl)amino]-5-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-2,6-diol
CID 146993534
1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol
CID 146350312
3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
CID 22223339
2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol
CID 102407523
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol
CID 138529941
N,N-dimethylformamide;4-methyl-2,6-bis[[2-oxido-N-(pyridin-2-ylmethyl)anilino]methyl]phenolate;bis(nickel(2+));acetate;hexahydrate
CID 139057937
6-methyl-1-phenyldiazenylnaphthalen-2-ol
CID 135829765
4-tert-butyl-2-[pyridin-2-ylmethyl(2-sulfanylethyl)amino]phenol
CID 101365814
N-(2-hydroxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 108732451
4-[[2-[bis(pyridin-2-ylmethyl)amino]-5-[(5-chloro-2,4-dihydroxyphenyl)diazenyl]phenyl]diazenyl]-6-nitrosobenzene-1,3-diol
CID 146350343

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol?
The IUPAC name of 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol (CID 163854351) is 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol.
What is the SMILES notation for 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol?
The canonical SMILES for 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol is Cc1ccc2ccc(O)c(/N=N/c3ccccc3N(Cc3ccccn3)Cc3ccccn3)c2c1.
What is the InChIKey of 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol?
The InChIKey is SNPFALOPOOEUCE-ULIFNZDWSA-N. The full InChI is InChI=1S/C29H25N5O/c1-21-12-13-22-14-15-28(35)29(25(22)18-21)33-32-26-10-2-3-11-27(26)34(19-23-8-4-6-16-30-23)20-24-9-5-7-17-31-24/h2-18,35H,19-20H2,1H3/b33-32+.
What are the key properties of 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol?
1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol has a molecular weight of 459.55 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol is sourced from PubChem (CID 163854351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).