9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene

C49H36 — CID 58722434

IUPAC9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3cc(C)cc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C49H36/c1-31-20-24-34(25-21-31)46-38-12-4-8-16-42(38)48(43-17-9-5-13-39(43)46)36-28-33(3)29-37(30-36)49-44-18-10-6-14-40(44)47(35-26-22-32(2)23-27-35)41-15-7-11-19-45(41)49/h4-30H,1-3H3
InChIKeyOTXGAASFNZHOCP-UHFFFAOYSA-N
MW624.83 g/mol
LogP13.89
Rot. Bonds4

About 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene

9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene (PubChem CID 58722434) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene.

Molecular Properties

Compound Name9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
PubChem CID58722434
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3cc(C)cc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C49H36/c1-31-20-24-34(25-21-31)46-38-12-4-8-16-42(38)48(43-17-9-5-13-39(43)46)36-28-33(3)29-37(30-36)49-44-18-10-6-14-40(44)47(35-26-22-32(2)23-27-35)41-15-7-11-19-45(41)49/h4-30H,1-3H3
InChIKeyOTXGAASFNZHOCP-UHFFFAOYSA-N
XLogP13.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 513.89
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-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
CID 58151376
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene?
The IUPAC name of 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene (CID 58722434) is 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene.
What is the SMILES notation for 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene?
The canonical SMILES for 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene is Cc1ccc(-c2c3ccccc3c(-c3cc(C)cc(-c4c5ccccc5c(-c5ccc(C)cc5)c5ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene?
The InChIKey is OTXGAASFNZHOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36/c1-31-20-24-34(25-21-31)46-38-12-4-8-16-42(38)48(43-17-9-5-13-39(43)46)36-28-33(3)29-37(30-36)49-44-18-10-6-14-40(44)47(35-26-22-32(2)23-27-35)41-15-7-11-19-45(41)49/h4-30H,1-3H3.
What are the key properties of 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene?
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene has a molecular weight of 624.83 g/mol, XLogP of 13.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene is sourced from PubChem (CID 58722434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).