10b,10c-dihydropyrene;ethane

C24H36 — CID 123567787

IUPAC10b,10c-dihydropyrene;ethane
SMILESC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.CC.CC.CC.CC
InChIInChI=1S/C16H12.4C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;4*1-2/h1-10,15-16H;4*1-2H3
InChIKeyWEXFMRNDWJBMQF-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.75
Rot. Bonds

About 10b,10c-dihydropyrene;ethane

10b,10c-dihydropyrene;ethane (PubChem CID 123567787) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 10b,10c-dihydropyrene;ethane.

Molecular Properties

Compound Name10b,10c-dihydropyrene;ethane
PubChem CID123567787
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name10b,10c-dihydropyrene;ethane
SMILESC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.CC.CC.CC.CC
InChIInChI=1S/C16H12.4C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;4*1-2/h1-10,15-16H;4*1-2H3
InChIKeyWEXFMRNDWJBMQF-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-10b,10c-dihydropyren-1-amine
CID 170014525
2-iodo-10b,10c-dihydropyrene
CID 138626052
S-[2-(10b,10c-dihydropyren-1-yl)-2-oxoethyl] ethanethioate
CID 59359670
2,7-dimethyl-10b,10c-dihydropyrene
CID 58880753
2-methyl-1,2,3a,8b-tetrahydroacenaphthylene
CID 123358834
1-[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10b,10c-dihydropyrene
CID 144601470
1,2,2a,9-tetrahydrobenzo[cd]indole
CID 18922709
2-amino-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione
CID 4195514
12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123984865
N-[1-(8-methyl-8,8a-dihydronaphthalen-1-yl)ethyl]ethanimine
CID 91595441
hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-3(8),4(21),6,9,11,13,15,17,19-nonaene
CID 164565159
(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene
CID 10687737

Frequently Asked Questions

What is the IUPAC name of 10b,10c-dihydropyrene;ethane?
The IUPAC name of 10b,10c-dihydropyrene;ethane (CID 123567787) is 10b,10c-dihydropyrene;ethane.
What is the SMILES notation for 10b,10c-dihydropyrene;ethane?
The canonical SMILES for 10b,10c-dihydropyrene;ethane is C1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C43.CC.CC.CC.CC.
What is the InChIKey of 10b,10c-dihydropyrene;ethane?
The InChIKey is WEXFMRNDWJBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12.4C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;4*1-2/h1-10,15-16H;4*1-2H3.
What are the key properties of 10b,10c-dihydropyrene;ethane?
10b,10c-dihydropyrene;ethane has a molecular weight of 324.55 g/mol, XLogP of 7.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10b,10c-dihydropyrene;ethane is sourced from PubChem (CID 123567787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).