1,2-dihydroacenaphthylene;perylene

C32H22 — CID 157201241

IUPAC1,2-dihydroacenaphthylene;perylene
SMILESc1cc2c3c(cccc3c1)CC2.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C12H10/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-12H;1-6H,7-8H2
InChIKeyAQVCGDIAMLNXNK-UHFFFAOYSA-N
MW406.53 g/mol
LogP8.68
Rot. Bonds

About 1,2-dihydroacenaphthylene;perylene

1,2-dihydroacenaphthylene;perylene (PubChem CID 157201241) has the molecular formula C32H22 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene;perylene.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene;perylene
PubChem CID157201241
Molecular FormulaC32H22
Molecular Weight406.53 g/mol
Exact Mass406.17
IUPAC Name1,2-dihydroacenaphthylene;perylene
SMILESc1cc2c3c(cccc3c1)CC2.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C12H10/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-12H;1-6H,7-8H2
InChIKeyAQVCGDIAMLNXNK-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
1,2-dihydroacenaphthylene;1,2-dihydroacenaphthylene-5-carbothioic S-acid
CID 88821671
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
butane;perylene
CID 159762170
tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616
ethane-1,2-diol;perylene
CID 87614452
benzene-1,2-diol;perylene
CID 175494116
benzo[e]pyrene
CID 9128
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene;perylene?
The IUPAC name of 1,2-dihydroacenaphthylene;perylene (CID 157201241) is 1,2-dihydroacenaphthylene;perylene.
What is the SMILES notation for 1,2-dihydroacenaphthylene;perylene?
The canonical SMILES for 1,2-dihydroacenaphthylene;perylene is c1cc2c3c(cccc3c1)CC2.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 1,2-dihydroacenaphthylene;perylene?
The InChIKey is AQVCGDIAMLNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C12H10/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-12H;1-6H,7-8H2.
What are the key properties of 1,2-dihydroacenaphthylene;perylene?
1,2-dihydroacenaphthylene;perylene has a molecular weight of 406.53 g/mol, XLogP of 8.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene;perylene is sourced from PubChem (CID 157201241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).