4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol

C19H18N4O — CID 142445654

IUPAC4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
SMILES[H]/N=N/c1ccc2c3c(c(-c4ccc(O)cc4)nc2c1N)CCCC3
InChIInChI=1S/C19H18N4O/c20-17-16(23-21)10-9-15-13-3-1-2-4-14(13)18(22-19(15)17)11-5-7-12(24)8-6-11/h5-10,21,24H,1-4,20H2/b23-21+
InChIKeyGVQLZGXWPJGHPN-XTQSDGFTSA-N
MW318.38 g/mol
LogP4.73
Rot. Bonds2

About 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol

4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol (PubChem CID 142445654) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
PubChem CID142445654
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol
SMILES[H]/N=N/c1ccc2c3c(c(-c4ccc(O)cc4)nc2c1N)CCCC3
InChIInChI=1S/C19H18N4O/c20-17-16(23-21)10-9-15-13-3-1-2-4-14(13)18(22-19(15)17)11-5-7-12(24)8-6-11/h5-10,21,24H,1-4,20H2/b23-21+
InChIKeyGVQLZGXWPJGHPN-XTQSDGFTSA-N
XLogP4.73
TPSA95.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
The IUPAC name of 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol (CID 142445654) is 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol.
What is the SMILES notation for 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
The canonical SMILES for 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol is [H]/N=N/c1ccc2c3c(c(-c4ccc(O)cc4)nc2c1N)CCCC3.
What is the InChIKey of 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
The InChIKey is GVQLZGXWPJGHPN-XTQSDGFTSA-N. The full InChI is InChI=1S/C19H18N4O/c20-17-16(23-21)10-9-15-13-3-1-2-4-14(13)18(22-19(15)17)11-5-7-12(24)8-6-11/h5-10,21,24H,1-4,20H2/b23-21+.
What are the key properties of 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol?
4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol has a molecular weight of 318.38 g/mol, XLogP of 4.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-diazenyl-7,8,9,10-tetrahydrophenanthridin-6-yl)phenol is sourced from PubChem (CID 142445654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).