1,4-dimethyl-2,3-diphenylanthracene

C28H22 — CID 44632824

IUPAC1,4-dimethyl-2,3-diphenylanthracene
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)c(C)c2cc3ccccc3cc12
InChIInChI=1S/C28H22/c1-19-25-17-23-15-9-10-16-24(23)18-26(25)20(2)28(22-13-7-4-8-14-22)27(19)21-11-5-3-6-12-21/h3-18H,1-2H3
InChIKeyICVAUFFUUFWYOK-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.94
Rot. Bonds2

About 1,4-dimethyl-2,3-diphenylanthracene

1,4-dimethyl-2,3-diphenylanthracene (PubChem CID 44632824) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1,4-dimethyl-2,3-diphenylanthracene.

Molecular Properties

Compound Name1,4-dimethyl-2,3-diphenylanthracene
PubChem CID44632824
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1,4-dimethyl-2,3-diphenylanthracene
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)c(C)c2cc3ccccc3cc12
InChIInChI=1S/C28H22/c1-19-25-17-23-15-9-10-16-24(23)18-26(25)20(2)28(22-13-7-4-8-14-22)27(19)21-11-5-3-6-12-21/h3-18H,1-2H3
InChIKeyICVAUFFUUFWYOK-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.94
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

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CID 161148956
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
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CID 167687087
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CID 102040919
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,3-diphenylanthracene?
The IUPAC name of 1,4-dimethyl-2,3-diphenylanthracene (CID 44632824) is 1,4-dimethyl-2,3-diphenylanthracene.
What is the SMILES notation for 1,4-dimethyl-2,3-diphenylanthracene?
The canonical SMILES for 1,4-dimethyl-2,3-diphenylanthracene is Cc1c(-c2ccccc2)c(-c2ccccc2)c(C)c2cc3ccccc3cc12.
What is the InChIKey of 1,4-dimethyl-2,3-diphenylanthracene?
The InChIKey is ICVAUFFUUFWYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-19-25-17-23-15-9-10-16-24(23)18-26(25)20(2)28(22-13-7-4-8-14-22)27(19)21-11-5-3-6-12-21/h3-18H,1-2H3.
What are the key properties of 1,4-dimethyl-2,3-diphenylanthracene?
1,4-dimethyl-2,3-diphenylanthracene has a molecular weight of 358.48 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,3-diphenylanthracene is sourced from PubChem (CID 44632824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).