azane;benzo[a]anthracen-1-ol

C18H15NO — CID 87178862

IUPACazane;benzo[a]anthracen-1-ol
SMILESN.Oc1cccc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C18H12O.H3N/c19-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17;/h1-11,19H;1H3
InChIKeyBCKZXQWTHHUNIM-UHFFFAOYSA-N
MW261.32 g/mol
LogP5.01
Rot. Bonds

About azane;benzo[a]anthracen-1-ol

azane;benzo[a]anthracen-1-ol (PubChem CID 87178862) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is azane;benzo[a]anthracen-1-ol.

Molecular Properties

Compound Nameazane;benzo[a]anthracen-1-ol
PubChem CID87178862
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Nameazane;benzo[a]anthracen-1-ol
SMILESN.Oc1cccc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C18H12O.H3N/c19-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17;/h1-11,19H;1H3
InChIKeyBCKZXQWTHHUNIM-UHFFFAOYSA-N
XLogP5.01
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.32
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze azane;benzo[a]anthracen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[a]anthracen-1-ol;methane
CID 88728153
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
heptacen-1-ol
CID 150633624
pentaphene;perylene
CID 159419403
2-bromobenzo[a]anthracen-1-ol
CID 88522900
acetic acid;benzo[a]anthracene-1,2-diol
CID 57354146
CID 89262500
CID 89262500
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
nonacyclo[23.5.2.02,15.04,13.06,11.016,29.019,28.022,27.026,30]dotriaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25,31-hexadecaene
CID 86253015
hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaen-19-ol
CID 126662128
1-(trideuteriomethyl)benzo[a]anthracene
CID 71750204

Frequently Asked Questions

What is the IUPAC name of azane;benzo[a]anthracen-1-ol?
The IUPAC name of azane;benzo[a]anthracen-1-ol (CID 87178862) is azane;benzo[a]anthracen-1-ol.
What is the SMILES notation for azane;benzo[a]anthracen-1-ol?
The canonical SMILES for azane;benzo[a]anthracen-1-ol is N.Oc1cccc2ccc3cc4ccccc4cc3c12.
What is the InChIKey of azane;benzo[a]anthracen-1-ol?
The InChIKey is BCKZXQWTHHUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O.H3N/c19-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17;/h1-11,19H;1H3.
What are the key properties of azane;benzo[a]anthracen-1-ol?
azane;benzo[a]anthracen-1-ol has a molecular weight of 261.32 g/mol, XLogP of 5.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzo[a]anthracen-1-ol is sourced from PubChem (CID 87178862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).