1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene

C30H26 — CID 174718447

IUPAC1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene
SMILESC1=CC2=CCC3=c4ccccc4=CCC3=C2CC1.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C18H16.C12H10/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-3,5-7,9-10H,4,8,11-12H2;1-6H,7-8H2
InChIKeyJSOBVLASPBDAGT-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.94
Rot. Bonds

About 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene

1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene (PubChem CID 174718447) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene
PubChem CID174718447
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene
SMILESC1=CC2=CCC3=c4ccccc4=CCC3=C2CC1.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C18H16.C12H10/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-3,5-7,9-10H,4,8,11-12H2;1-6H,7-8H2
InChIKeyJSOBVLASPBDAGT-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene?
The IUPAC name of 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene (CID 174718447) is 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene.
What is the SMILES notation for 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene?
The canonical SMILES for 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene is C1=CC2=CCC3=c4ccccc4=CCC3=C2CC1.c1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene?
The InChIKey is JSOBVLASPBDAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C12H10/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-3,5-7,9-10H,4,8,11-12H2;1-6H,7-8H2.
What are the key properties of 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene?
1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene has a molecular weight of 386.54 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene;3,4,5,11-tetrahydrochrysene is sourced from PubChem (CID 174718447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).