4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol

C26H27N3O — CID 135415657

IUPAC4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol
SMILESCCCN(CCC)c1cc(/N=N/c2ccccc2)c(O)c2cc3ccccc3cc12
InChIInChI=1S/C26H27N3O/c1-3-14-29(15-4-2)25-18-24(28-27-21-12-6-5-7-13-21)26(30)23-17-20-11-9-8-10-19(20)16-22(23)25/h5-13,16-18,30H,3-4,14-15H2,1-2H3/b28-27+
InChIKeyGJXLLWUNHQDDLZ-BYYHNAKLSA-N
MW397.52 g/mol
LogP7.74
Rot. Bonds7

About 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol

4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol (PubChem CID 135415657) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol.

Molecular Properties

Compound Name4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol
PubChem CID135415657
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol
SMILESCCCN(CCC)c1cc(/N=N/c2ccccc2)c(O)c2cc3ccccc3cc12
InChIInChI=1S/C26H27N3O/c1-3-14-29(15-4-2)25-18-24(28-27-21-12-6-5-7-13-21)26(30)23-17-20-11-9-8-10-19(20)16-22(23)25/h5-13,16-18,30H,3-4,14-15H2,1-2H3/b28-27+
InChIKeyGJXLLWUNHQDDLZ-BYYHNAKLSA-N
XLogP7.74
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol?
The IUPAC name of 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol (CID 135415657) is 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol.
What is the SMILES notation for 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol?
The canonical SMILES for 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol is CCCN(CCC)c1cc(/N=N/c2ccccc2)c(O)c2cc3ccccc3cc12.
What is the InChIKey of 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol?
The InChIKey is GJXLLWUNHQDDLZ-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H27N3O/c1-3-14-29(15-4-2)25-18-24(28-27-21-12-6-5-7-13-21)26(30)23-17-20-11-9-8-10-19(20)16-22(23)25/h5-13,16-18,30H,3-4,14-15H2,1-2H3/b28-27+.
What are the key properties of 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol?
4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol has a molecular weight of 397.52 g/mol, XLogP of 7.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-2-phenyldiazenylanthracen-1-ol is sourced from PubChem (CID 135415657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).