1-(1-phenylethenyl)-1H-phenalene

C21H16 — CID 174392625

IUPAC1-(1-phenylethenyl)-1H-phenalene
SMILESC=C(c1ccccc1)C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C21H16/c1-15(16-7-3-2-4-8-16)19-14-13-18-10-5-9-17-11-6-12-20(19)21(17)18/h2-14,19H,1H2
InChIKeySQBLWBPRRADYCT-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.66
Rot. Bonds2

About 1-(1-phenylethenyl)-1H-phenalene

1-(1-phenylethenyl)-1H-phenalene (PubChem CID 174392625) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-phenylethenyl)-1H-phenalene.

Molecular Properties

Compound Name1-(1-phenylethenyl)-1H-phenalene
PubChem CID174392625
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name1-(1-phenylethenyl)-1H-phenalene
SMILESC=C(c1ccccc1)C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C21H16/c1-15(16-7-3-2-4-8-16)19-14-13-18-10-5-9-17-11-6-12-20(19)21(17)18/h2-14,19H,1H2
InChIKeySQBLWBPRRADYCT-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-1H-phenalene
CID 118456888
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
cyclohexa-2,5-diene-1,4-dione;1H-phenalen-1-ol
CID 175310515
1-prop-1-en-2-yl-1H-indene
CID 12058678
CID 174146075
CID 174146075
1-(2-phenylpropyl)-1H-phenalene
CID 175272524
acenaphthylene;benzene
CID 161131509
1H-phenalen-1-yl prop-2-enoate
CID 164546878
CID 175041145
CID 175041145
N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide
CID 67376960
2-(1H-phenalen-1-yl)propanedial
CID 174396888
3,3-bis(1H-phenalen-1-yl)oxathiirane
CID 174584708

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethenyl)-1H-phenalene?
The IUPAC name of 1-(1-phenylethenyl)-1H-phenalene (CID 174392625) is 1-(1-phenylethenyl)-1H-phenalene.
What is the SMILES notation for 1-(1-phenylethenyl)-1H-phenalene?
The canonical SMILES for 1-(1-phenylethenyl)-1H-phenalene is C=C(c1ccccc1)C1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-(1-phenylethenyl)-1H-phenalene?
The InChIKey is SQBLWBPRRADYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-15(16-7-3-2-4-8-16)19-14-13-18-10-5-9-17-11-6-12-20(19)21(17)18/h2-14,19H,1H2.
What are the key properties of 1-(1-phenylethenyl)-1H-phenalene?
1-(1-phenylethenyl)-1H-phenalene has a molecular weight of 268.36 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethenyl)-1H-phenalene is sourced from PubChem (CID 174392625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).