9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene

C27H20 — CID 58151376

IUPAC9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
SMILES[3H]c1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C27H20/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27/h2-18H,1H3/i2T
InChIKeyAYCWDBOZJVBDPY-FUPOQFPWSA-N
MW346.47 g/mol
LogP7.64
Rot. Bonds2

About 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene

9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene (PubChem CID 58151376) has the molecular formula C27H20 and a molecular weight of 346.47 g/mol. Its IUPAC name is 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene.

Molecular Properties

Compound Name9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
PubChem CID58151376
Molecular FormulaC27H20
Molecular Weight346.47 g/mol
Exact Mass346.16
IUPAC Name9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
SMILES[3H]c1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C27H20/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27/h2-18H,1H3/i2T
InChIKeyAYCWDBOZJVBDPY-FUPOQFPWSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.64
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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Related Compounds

9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
CID 159243819
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene?
The IUPAC name of 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene (CID 58151376) is 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene.
What is the SMILES notation for 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene?
The canonical SMILES for 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene is [3H]c1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene?
The InChIKey is AYCWDBOZJVBDPY-FUPOQFPWSA-N. The full InChI is InChI=1S/C27H20/c1-19-15-17-21(18-16-19)27-24-13-7-5-11-22(24)26(20-9-3-2-4-10-20)23-12-6-8-14-25(23)27/h2-18H,1H3/i2T.
What are the key properties of 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene?
9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene has a molecular weight of 346.47 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene is sourced from PubChem (CID 58151376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).