6-(6H-phenalen-1-yl)-1H-phenalene

C26H18 — CID 132501427

IUPAC6-(6H-phenalen-1-yl)-1H-phenalene
SMILESC1=Cc2ccc(-c3ccc4c5c(cccc35)CC=C4)c3cccc(c23)C1
InChIInChI=1S/C26H18/c1-5-17-9-3-11-23-21(15-13-19(7-1)25(17)23)22-16-14-20-8-2-6-18-10-4-12-24(22)26(18)20/h1-4,7-16H,5-6H2
InChIKeyAVAIEPOQGVPLGW-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.80
Rot. Bonds1

About 6-(6H-phenalen-1-yl)-1H-phenalene

6-(6H-phenalen-1-yl)-1H-phenalene (PubChem CID 132501427) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-(6H-phenalen-1-yl)-1H-phenalene.

Molecular Properties

Compound Name6-(6H-phenalen-1-yl)-1H-phenalene
PubChem CID132501427
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name6-(6H-phenalen-1-yl)-1H-phenalene
SMILESC1=Cc2ccc(-c3ccc4c5c(cccc35)CC=C4)c3cccc(c23)C1
InChIInChI=1S/C26H18/c1-5-17-9-3-11-23-21(15-13-19(7-1)25(17)23)22-16-14-20-8-2-6-18-10-4-12-24(22)26(18)20/h1-4,7-16H,5-6H2
InChIKeyAVAIEPOQGVPLGW-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(6H-phenalen-1-yl)-1H-phenalene with MolForge

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Related Compounds

1H-phenalene;hydrofluoride
CID 174317076
5-acenaphthylen-5-ylacenaphthylene
CID 14931397
cyclobutene;1H-phenalene
CID 175310152
benzene;1H-phenalene;sulfane
CID 174365170
acetylene;benzene;1H-phenalene
CID 174693937
1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium
CID 153428672
1-(1-methyl-6H-phenalen-2-yl)ethanone
CID 101125512
2-(3,8-dihydropyren-4-yl)-12-pyren-1-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 171053050
1H-phenalene;prop-2-ynoic acid
CID 174671367
ethane;isocyanic acid;1H-phenalene
CID 175301579
9-[4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[6-(6H-phenalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 161256900
copper;1H-indene
CID 175216856

Frequently Asked Questions

What is the IUPAC name of 6-(6H-phenalen-1-yl)-1H-phenalene?
The IUPAC name of 6-(6H-phenalen-1-yl)-1H-phenalene (CID 132501427) is 6-(6H-phenalen-1-yl)-1H-phenalene.
What is the SMILES notation for 6-(6H-phenalen-1-yl)-1H-phenalene?
The canonical SMILES for 6-(6H-phenalen-1-yl)-1H-phenalene is C1=Cc2ccc(-c3ccc4c5c(cccc35)CC=C4)c3cccc(c23)C1.
What is the InChIKey of 6-(6H-phenalen-1-yl)-1H-phenalene?
The InChIKey is AVAIEPOQGVPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18/c1-5-17-9-3-11-23-21(15-13-19(7-1)25(17)23)22-16-14-20-8-2-6-18-10-4-12-24(22)26(18)20/h1-4,7-16H,5-6H2.
What are the key properties of 6-(6H-phenalen-1-yl)-1H-phenalene?
6-(6H-phenalen-1-yl)-1H-phenalene has a molecular weight of 330.43 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6H-phenalen-1-yl)-1H-phenalene is sourced from PubChem (CID 132501427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).