2,6,9,10-tetraphenylanthracene

C38H26 — CID 58645118

IUPAC2,6,9,10-tetraphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C38H26/c1-5-13-27(14-6-1)31-21-23-33-35(25-31)37(29-17-9-3-10-18-29)34-24-22-32(28-15-7-2-8-16-28)26-36(34)38(33)30-19-11-4-12-20-30/h1-26H
InChIKeyUXFIZVVATAZJIV-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.66
Rot. Bonds4

About 2,6,9,10-tetraphenylanthracene

2,6,9,10-tetraphenylanthracene (PubChem CID 58645118) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2,6,9,10-tetraphenylanthracene.

Molecular Properties

Compound Name2,6,9,10-tetraphenylanthracene
PubChem CID58645118
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name2,6,9,10-tetraphenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C38H26/c1-5-13-27(14-6-1)31-21-23-33-35(25-31)37(29-17-9-3-10-18-29)34-24-22-32(28-15-7-2-8-16-28)26-36(34)38(33)30-19-11-4-12-20-30/h1-26H
InChIKeyUXFIZVVATAZJIV-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,9,10-tetraphenylanthracene?
The IUPAC name of 2,6,9,10-tetraphenylanthracene (CID 58645118) is 2,6,9,10-tetraphenylanthracene.
What is the SMILES notation for 2,6,9,10-tetraphenylanthracene?
The canonical SMILES for 2,6,9,10-tetraphenylanthracene is c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2,6,9,10-tetraphenylanthracene?
The InChIKey is UXFIZVVATAZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-5-13-27(14-6-1)31-21-23-33-35(25-31)37(29-17-9-3-10-18-29)34-24-22-32(28-15-7-2-8-16-28)26-36(34)38(33)30-19-11-4-12-20-30/h1-26H.
What are the key properties of 2,6,9,10-tetraphenylanthracene?
2,6,9,10-tetraphenylanthracene has a molecular weight of 482.63 g/mol, XLogP of 10.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10-tetraphenylanthracene is sourced from PubChem (CID 58645118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).