2-(4-anthracen-9-ylphenyl)triphenylene

C38H24 — CID 165006597

IUPAC2-(4-anthracen-9-ylphenyl)triphenylene
SMILESc1ccc2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccccc3cc2c1
InChIInChI=1S/C38H24/c1-3-11-30-28(9-1)23-29-10-2-4-12-31(29)38(30)26-19-17-25(18-20-26)27-21-22-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)37(36)24-27/h1-24H
InChIKeyUZYYRIUUQJRYOB-UHFFFAOYSA-N
MW480.61 g/mol
LogP10.79
Rot. Bonds2

About 2-(4-anthracen-9-ylphenyl)triphenylene

2-(4-anthracen-9-ylphenyl)triphenylene (PubChem CID 165006597) has the molecular formula C38H24 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(4-anthracen-9-ylphenyl)triphenylene.

Molecular Properties

Compound Name2-(4-anthracen-9-ylphenyl)triphenylene
PubChem CID165006597
Molecular FormulaC38H24
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name2-(4-anthracen-9-ylphenyl)triphenylene
SMILESc1ccc2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccccc3cc2c1
InChIInChI=1S/C38H24/c1-3-11-30-28(9-1)23-29-10-2-4-12-31(29)38(30)26-19-17-25(18-20-26)27-21-22-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)37(36)24-27/h1-24H
InChIKeyUZYYRIUUQJRYOB-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171

Frequently Asked Questions

What is the IUPAC name of 2-(4-anthracen-9-ylphenyl)triphenylene?
The IUPAC name of 2-(4-anthracen-9-ylphenyl)triphenylene (CID 165006597) is 2-(4-anthracen-9-ylphenyl)triphenylene.
What is the SMILES notation for 2-(4-anthracen-9-ylphenyl)triphenylene?
The canonical SMILES for 2-(4-anthracen-9-ylphenyl)triphenylene is c1ccc2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccccc3cc2c1.
What is the InChIKey of 2-(4-anthracen-9-ylphenyl)triphenylene?
The InChIKey is UZYYRIUUQJRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24/c1-3-11-30-28(9-1)23-29-10-2-4-12-31(29)38(30)26-19-17-25(18-20-26)27-21-22-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)37(36)24-27/h1-24H.
What are the key properties of 2-(4-anthracen-9-ylphenyl)triphenylene?
2-(4-anthracen-9-ylphenyl)triphenylene has a molecular weight of 480.61 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anthracen-9-ylphenyl)triphenylene is sourced from PubChem (CID 165006597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).