9,10-bis(4-methylphenyl)anthracene;methane

C30H30 — CID 162058146

IUPAC9,10-bis(4-methylphenyl)anthracene;methane
SMILESC.C.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H22.2CH4/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)28(22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27;;/h3-18H,1-2H3;2*1H4
InChIKeyYZLNUUISSQZQNT-UHFFFAOYSA-N
MW390.57 g/mol
LogP9.22
Rot. Bonds2

About 9,10-bis(4-methylphenyl)anthracene;methane

9,10-bis(4-methylphenyl)anthracene;methane (PubChem CID 162058146) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 9,10-bis(4-methylphenyl)anthracene;methane.

Molecular Properties

Compound Name9,10-bis(4-methylphenyl)anthracene;methane
PubChem CID162058146
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name9,10-bis(4-methylphenyl)anthracene;methane
SMILESC.C.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H22.2CH4/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)28(22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27;;/h3-18H,1-2H3;2*1H4
InChIKeyYZLNUUISSQZQNT-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 59.22
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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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-methylphenyl)anthracene;methane?
The IUPAC name of 9,10-bis(4-methylphenyl)anthracene;methane (CID 162058146) is 9,10-bis(4-methylphenyl)anthracene;methane.
What is the SMILES notation for 9,10-bis(4-methylphenyl)anthracene;methane?
The canonical SMILES for 9,10-bis(4-methylphenyl)anthracene;methane is C.C.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-bis(4-methylphenyl)anthracene;methane?
The InChIKey is YZLNUUISSQZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22.2CH4/c1-19-11-15-21(16-12-19)27-23-7-3-5-9-25(23)28(22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27;;/h3-18H,1-2H3;2*1H4.
What are the key properties of 9,10-bis(4-methylphenyl)anthracene;methane?
9,10-bis(4-methylphenyl)anthracene;methane has a molecular weight of 390.57 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-methylphenyl)anthracene;methane is sourced from PubChem (CID 162058146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).