7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene

C48H32 — CID 123314401

IUPAC7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene
SMILESC(=C(c1ccccc1)c1cc2c(c3c1-c1ccccc1C3=Cc1ccccc1)-c1ccccc1C2=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C48H32/c1-5-17-33(18-6-1)29-41(36-23-11-4-12-24-36)44-32-45-42(30-34-19-7-2-8-20-34)37-25-13-15-27-39(37)47(45)48-43(31-35-21-9-3-10-22-35)38-26-14-16-28-40(38)46(44)48/h1-32H
InChIKeyKSTAEVDCPAIWJM-UHFFFAOYSA-N
MW608.78 g/mol
LogP12.41
Rot. Bonds5

About 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene

7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene (PubChem CID 123314401) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene.

Molecular Properties

Compound Name7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene
PubChem CID123314401
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene
SMILESC(=C(c1ccccc1)c1cc2c(c3c1-c1ccccc1C3=Cc1ccccc1)-c1ccccc1C2=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C48H32/c1-5-17-33(18-6-1)29-41(36-23-11-4-12-24-36)44-32-45-42(30-34-19-7-2-8-20-34)37-25-13-15-27-39(37)47(45)48-43(31-35-21-9-3-10-22-35)38-26-14-16-28-40(38)46(44)48/h1-32H
InChIKeyKSTAEVDCPAIWJM-UHFFFAOYSA-N
XLogP12.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene?
The IUPAC name of 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene (CID 123314401) is 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene.
What is the SMILES notation for 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene?
The canonical SMILES for 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene is C(=C(c1ccccc1)c1cc2c(c3c1-c1ccccc1C3=Cc1ccccc1)-c1ccccc1C2=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene?
The InChIKey is KSTAEVDCPAIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-5-17-33(18-6-1)29-41(36-23-11-4-12-24-36)44-32-45-42(30-34-19-7-2-8-20-34)37-25-13-15-27-39(37)47(45)48-43(31-35-21-9-3-10-22-35)38-26-14-16-28-40(38)46(44)48/h1-32H.
What are the key properties of 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene?
7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene has a molecular weight of 608.78 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dibenzylidene-5-(1,2-diphenylethenyl)indeno[1,2-a]fluorene is sourced from PubChem (CID 123314401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).