4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene

C42H30 — CID 173221466

IUPAC4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene
SMILESC(=Cc1ccc2cccc3c2c1C=CC3C1C=Cc2c(C=Cc3ccccc3)ccc3cccc1c23)c1ccccc1
InChIInChI=1S/C42H30/c1-3-9-29(10-4-1)17-19-31-21-23-33-13-7-15-39-37(27-25-35(31)41(33)39)38-28-26-36-32(20-18-30-11-5-2-6-12-30)22-24-34-14-8-16-40(38)42(34)36/h1-28,37-38H
InChIKeyALXSYGSVAXTPOO-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.25
Rot. Bonds5

About 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene

4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene (PubChem CID 173221466) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene.

Molecular Properties

Compound Name4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene
PubChem CID173221466
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene
SMILESC(=Cc1ccc2cccc3c2c1C=CC3C1C=Cc2c(C=Cc3ccccc3)ccc3cccc1c23)c1ccccc1
InChIInChI=1S/C42H30/c1-3-9-29(10-4-1)17-19-31-21-23-33-13-7-15-39-37(27-25-35(31)41(33)39)38-28-26-36-32(20-18-30-11-5-2-6-12-30)22-24-34-14-8-16-40(38)42(34)36/h1-28,37-38H
InChIKeyALXSYGSVAXTPOO-UHFFFAOYSA-N
XLogP11.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

8b,12a-dihydrobenzo[e]pyrene
CID 168838340
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
2-(2-phenylethenyl)-1-[2-(2-phenylethenyl)naphthalen-1-yl]oxynaphthalene
CID 68718869
CID 67900431
CID 67900431
N-phenyl-2-[(E)-2-phenylethenyl]naphthalen-1-amine
CID 5387657
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
CID 70567885
CID 70567885
CID 70569152
CID 70569152
6-[(E)-2-phenylethenyl]benzo[a]pyrene
CID 6434715
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene?
The IUPAC name of 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene (CID 173221466) is 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene.
What is the SMILES notation for 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene?
The canonical SMILES for 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene is C(=Cc1ccc2cccc3c2c1C=CC3C1C=Cc2c(C=Cc3ccccc3)ccc3cccc1c23)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene?
The InChIKey is ALXSYGSVAXTPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-3-9-29(10-4-1)17-19-31-21-23-33-13-7-15-39-37(27-25-35(31)41(33)39)38-28-26-36-32(20-18-30-11-5-2-6-12-30)22-24-34-14-8-16-40(38)42(34)36/h1-28,37-38H.
What are the key properties of 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene?
4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene has a molecular weight of 534.70 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-1-[4-(2-phenylethenyl)-1H-phenalen-1-yl]-1H-phenalene is sourced from PubChem (CID 173221466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).