6-[3,5-di(azulen-6-yl)phenyl]azulene

C36H24 — CID 11102517

IUPAC6-[3,5-di(azulen-6-yl)phenyl]azulene
SMILESc1cc2ccc(-c3cc(-c4ccc5cccc-5cc4)cc(-c4ccc5cccc-5cc4)c3)ccc-2c1
InChIInChI=1S/C36H24/c1-4-25-10-16-31(17-11-26(25)5-1)34-22-35(32-18-12-27-6-2-7-28(27)13-19-32)24-36(23-34)33-20-14-29-8-3-9-30(29)15-21-33/h1-24H
InChIKeyOOFPVMKNHISLRS-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.00
Rot. Bonds3

About 6-[3,5-di(azulen-6-yl)phenyl]azulene

6-[3,5-di(azulen-6-yl)phenyl]azulene (PubChem CID 11102517) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 6-[3,5-di(azulen-6-yl)phenyl]azulene.

Molecular Properties

Compound Name6-[3,5-di(azulen-6-yl)phenyl]azulene
PubChem CID11102517
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name6-[3,5-di(azulen-6-yl)phenyl]azulene
SMILESc1cc2ccc(-c3cc(-c4ccc5cccc-5cc4)cc(-c4ccc5cccc-5cc4)c3)ccc-2c1
InChIInChI=1S/C36H24/c1-4-25-10-16-31(17-11-26(25)5-1)34-22-35(32-18-12-27-6-2-7-28(27)13-19-32)24-36(23-34)33-20-14-29-8-3-9-30(29)15-21-33/h1-24H
InChIKeyOOFPVMKNHISLRS-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-di(azulen-6-yl)phenyl]azulene?
The IUPAC name of 6-[3,5-di(azulen-6-yl)phenyl]azulene (CID 11102517) is 6-[3,5-di(azulen-6-yl)phenyl]azulene.
What is the SMILES notation for 6-[3,5-di(azulen-6-yl)phenyl]azulene?
The canonical SMILES for 6-[3,5-di(azulen-6-yl)phenyl]azulene is c1cc2ccc(-c3cc(-c4ccc5cccc-5cc4)cc(-c4ccc5cccc-5cc4)c3)ccc-2c1.
What is the InChIKey of 6-[3,5-di(azulen-6-yl)phenyl]azulene?
The InChIKey is OOFPVMKNHISLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-4-25-10-16-31(17-11-26(25)5-1)34-22-35(32-18-12-27-6-2-7-28(27)13-19-32)24-36(23-34)33-20-14-29-8-3-9-30(29)15-21-33/h1-24H.
What are the key properties of 6-[3,5-di(azulen-6-yl)phenyl]azulene?
6-[3,5-di(azulen-6-yl)phenyl]azulene has a molecular weight of 456.59 g/mol, XLogP of 10.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-di(azulen-6-yl)phenyl]azulene is sourced from PubChem (CID 11102517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).