1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene

C60H48 — CID 159276562

IUPAC1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c5cc6ccccc6cc45)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H26.C26H22/c1-23-7-10-25(11-8-23)26-12-14-27(15-13-26)28-16-18-29(19-17-28)32-20-9-24(2)33-21-30-5-3-4-6-31(30)22-34(32)33;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-22H,1-2H3;3-18H,1-2H3
InChIKeyKYJMGRLGCFKMQV-UHFFFAOYSA-N
MW769.04 g/mol
LogP16.92
Rot. Bonds6

About 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene

1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene (PubChem CID 159276562) has the molecular formula C60H48 and a molecular weight of 769.04 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
PubChem CID159276562
Molecular FormulaC60H48
Molecular Weight769.04 g/mol
Exact Mass768.38
IUPAC Name1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c5cc6ccccc6cc45)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H26.C26H22/c1-23-7-10-25(11-8-23)26-12-14-27(15-13-26)28-16-18-29(19-17-28)32-20-9-24(2)33-21-30-5-3-4-6-31(30)22-34(32)33;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-22H,1-2H3;3-18H,1-2H3
InChIKeyKYJMGRLGCFKMQV-UHFFFAOYSA-N
XLogP16.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.04
LogP ≤ 516.92
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

1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
2-methyl-3-[2-methyl-5-(4-methylphenyl)phenyl]naphthalene
CID 144579052
4,6-dimethyl-1-(3-phenylphenyl)naphthalene
CID 171720909
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene (CID 159276562) is 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c5cc6ccccc6cc45)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
The InChIKey is KYJMGRLGCFKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26.C26H22/c1-23-7-10-25(11-8-23)26-12-14-27(15-13-26)28-16-18-29(19-17-28)32-20-9-24(2)33-21-30-5-3-4-6-31(30)22-34(32)33;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-22H,1-2H3;3-18H,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene?
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene has a molecular weight of 769.04 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]anthracene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 159276562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).