9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene

C35H28 — CID 142700276

IUPAC9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene
SMILESCc1ccc(-c2ccc3cc4ccc(-c5ccc(C)cc5)cc4c(-c4cccc(C)c4)c3c2)cc1
InChIInChI=1S/C35H28/c1-23-7-11-26(12-8-23)28-15-17-30-20-31-18-16-29(27-13-9-24(2)10-14-27)22-34(31)35(33(30)21-28)32-6-4-5-25(3)19-32/h4-22H,1-3H3
InChIKeyTXWNUUMTBRSTPZ-UHFFFAOYSA-N
MW448.61 g/mol
LogP9.92
Rot. Bonds3

About 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene

9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene (PubChem CID 142700276) has the molecular formula C35H28 and a molecular weight of 448.61 g/mol. Its IUPAC name is 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene.

Molecular Properties

Compound Name9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene
PubChem CID142700276
Molecular FormulaC35H28
Molecular Weight448.61 g/mol
Exact Mass448.22
IUPAC Name9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene
SMILESCc1ccc(-c2ccc3cc4ccc(-c5ccc(C)cc5)cc4c(-c4cccc(C)c4)c3c2)cc1
InChIInChI=1S/C35H28/c1-23-7-11-26(12-8-23)28-15-17-30-20-31-18-16-29(27-13-9-24(2)10-14-27)22-34(31)35(33(30)21-28)32-6-4-5-25(3)19-32/h4-22H,1-3H3
InChIKeyTXWNUUMTBRSTPZ-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 59.92
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

9-(3-methylphenyl)-2,7-diphenylanthracene
CID 142700269
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
2,6,9-tris(3-phenylphenyl)anthracene
CID 143896794
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
1,2-dimethyl-6-(3-methylphenyl)naphthalene
CID 58239617

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene?
The IUPAC name of 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene (CID 142700276) is 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene.
What is the SMILES notation for 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene?
The canonical SMILES for 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene is Cc1ccc(-c2ccc3cc4ccc(-c5ccc(C)cc5)cc4c(-c4cccc(C)c4)c3c2)cc1.
What is the InChIKey of 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene?
The InChIKey is TXWNUUMTBRSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28/c1-23-7-11-26(12-8-23)28-15-17-30-20-31-18-16-29(27-13-9-24(2)10-14-27)22-34(31)35(33(30)21-28)32-6-4-5-25(3)19-32/h4-22H,1-3H3.
What are the key properties of 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene?
9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene has a molecular weight of 448.61 g/mol, XLogP of 9.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-2,7-bis(4-methylphenyl)anthracene is sourced from PubChem (CID 142700276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).