1-(3H-phenalen-1-yl)-1H-phenalene

C26H18 — CID 174604629

IUPAC1-(3H-phenalen-1-yl)-1H-phenalene
SMILESC1=CC(C2=CCc3cccc4cccc2c34)c2cccc3cccc1c23
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/h1-13,15-16,21H,14H2
InChIKeyMKTXSLFWZJVUOL-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.74
Rot. Bonds1

About 1-(3H-phenalen-1-yl)-1H-phenalene

1-(3H-phenalen-1-yl)-1H-phenalene (PubChem CID 174604629) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(3H-phenalen-1-yl)-1H-phenalene.

Molecular Properties

Compound Name1-(3H-phenalen-1-yl)-1H-phenalene
PubChem CID174604629
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name1-(3H-phenalen-1-yl)-1H-phenalene
SMILESC1=CC(C2=CCc3cccc4cccc2c34)c2cccc3cccc1c23
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/h1-13,15-16,21H,14H2
InChIKeyMKTXSLFWZJVUOL-UHFFFAOYSA-N
XLogP6.74
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 ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-1H-phenalene
CID 118456888
3H-phenalen-1-ol
CID 69253021
4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 123258415
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
2-(1H-phenalen-1-yl)-1,3,4-oxadiazole
CID 70399932
1H-phenalene;hydrofluoride
CID 174317076
4-(1H-phenalen-1-yl)-1,2-benzothiazole
CID 166731702
3,4-dimethyl-1-(1H-phenalen-1-yl)-2,5-dihydro-1λ5-phosphole 1-oxide
CID 155317031
benzene;1H-phenalene;sulfane
CID 174365170
cyclobutene;1H-phenalene
CID 175310152
CID 174146075
CID 174146075
3H-phenalen-1-ylmethanol
CID 174363850

Frequently Asked Questions

What is the IUPAC name of 1-(3H-phenalen-1-yl)-1H-phenalene?
The IUPAC name of 1-(3H-phenalen-1-yl)-1H-phenalene (CID 174604629) is 1-(3H-phenalen-1-yl)-1H-phenalene.
What is the SMILES notation for 1-(3H-phenalen-1-yl)-1H-phenalene?
The canonical SMILES for 1-(3H-phenalen-1-yl)-1H-phenalene is C1=CC(C2=CCc3cccc4cccc2c34)c2cccc3cccc1c23.
What is the InChIKey of 1-(3H-phenalen-1-yl)-1H-phenalene?
The InChIKey is MKTXSLFWZJVUOL-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/h1-13,15-16,21H,14H2.
What are the key properties of 1-(3H-phenalen-1-yl)-1H-phenalene?
1-(3H-phenalen-1-yl)-1H-phenalene has a molecular weight of 330.43 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-phenalen-1-yl)-1H-phenalene is sourced from PubChem (CID 174604629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).