1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol

C26H18O — CID 135158112

IUPAC1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol
SMILESOc1c2ccccc2cc2cccc(-c3cc4c5c(cccc5c3)CC4)c12
InChIInChI=1S/C26H18O/c27-26-23-9-2-1-5-17(23)13-19-8-4-10-22(25(19)26)21-14-18-7-3-6-16-11-12-20(15-21)24(16)18/h1-10,13-15,27H,11-12H2
InChIKeyBHBJXZGNVTTYHR-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.62
Rot. Bonds1

About 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol

1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol (PubChem CID 135158112) has the molecular formula C26H18O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol
PubChem CID135158112
Molecular FormulaC26H18O
Molecular Weight346.43 g/mol
Exact Mass346.14
IUPAC Name1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol
SMILESOc1c2ccccc2cc2cccc(-c3cc4c5c(cccc5c3)CC4)c12
InChIInChI=1S/C26H18O/c27-26-23-9-2-1-5-17(23)13-19-8-4-10-22(25(19)26)21-14-18-7-3-6-16-11-12-20(15-21)24(16)18/h1-10,13-15,27H,11-12H2
InChIKeyBHBJXZGNVTTYHR-UHFFFAOYSA-N
XLogP6.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
1-bromoanthracen-9-ol;methane
CID 21197331
[4-(1,2-dihydroacenaphthylen-4-yl)-2,3-bis(ethenyl)naphthalen-1-yl]boronic acid
CID 143152304
1,2-dihydroacenaphthylene;perylene
CID 157201241
2,3-dihydro-1H-benzo[a]phenalene
CID 6427872
4-phenanthren-9-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167410426
1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride
CID 140995624
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
6-naphthalen-1-yl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
CID 155367146
16-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene
CID 20823194
hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),14,16,18-decaene
CID 624084

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol (CID 135158112) is 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol is Oc1c2ccccc2cc2cccc(-c3cc4c5c(cccc5c3)CC4)c12.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol?
The InChIKey is BHBJXZGNVTTYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O/c27-26-23-9-2-1-5-17(23)13-19-8-4-10-22(25(19)26)21-14-18-7-3-6-16-11-12-20(15-21)24(16)18/h1-10,13-15,27H,11-12H2.
What are the key properties of 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol?
1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol has a molecular weight of 346.43 g/mol, XLogP of 6.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-4-yl)anthracen-9-ol is sourced from PubChem (CID 135158112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).