2-(3-propan-2-ylphenyl)anthracene

C23H20 — CID 175212128

IUPAC2-(3-propan-2-ylphenyl)anthracene
SMILESCC(C)c1cccc(-c2ccc3cc4ccccc4cc3c2)c1
InChIInChI=1S/C23H20/c1-16(2)17-8-5-9-20(12-17)21-10-11-22-13-18-6-3-4-7-19(18)14-23(22)15-21/h3-16H,1-2H3
InChIKeySBRQNKBBOAJOND-UHFFFAOYSA-N
MW296.41 g/mol
LogP6.78
Rot. Bonds2

About 2-(3-propan-2-ylphenyl)anthracene

2-(3-propan-2-ylphenyl)anthracene (PubChem CID 175212128) has the molecular formula C23H20 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)anthracene
PubChem CID175212128
Molecular FormulaC23H20
Molecular Weight296.41 g/mol
Exact Mass296.16
IUPAC Name2-(3-propan-2-ylphenyl)anthracene
SMILESCC(C)c1cccc(-c2ccc3cc4ccccc4cc3c2)c1
InChIInChI=1S/C23H20/c1-16(2)17-8-5-9-20(12-17)21-10-11-22-13-18-6-3-4-7-19(18)14-23(22)15-21/h3-16H,1-2H3
InChIKeySBRQNKBBOAJOND-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 56.78
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

2-propan-2-ylpentacene
CID 153380535
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
benzo[f]azulene
CID 13065869
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
ethane;2-propan-2-ylnaphthalene
CID 142226111
2,9-di(propan-2-yl)pentacene
CID 153380534
2,7-diphenylanthracene
CID 154020316
1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalene;2-naphthalen-2-yl-7-(7-naphthalen-2-ylnaphthalen-2-yl)naphthalene;1-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-1-ylphenyl)naphthalene;2-naphthalen-2-yl-6-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalene;2-naphthalen-2-yl-7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalene;1-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)naphthalene;2-propan-2-yl-6-[4-[4-(6-propan-2-ylnaphthalen-2-yl)phenyl]phenyl]naphthalene
CID 161256989
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032756
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)anthracene?
The IUPAC name of 2-(3-propan-2-ylphenyl)anthracene (CID 175212128) is 2-(3-propan-2-ylphenyl)anthracene.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)anthracene?
The canonical SMILES for 2-(3-propan-2-ylphenyl)anthracene is CC(C)c1cccc(-c2ccc3cc4ccccc4cc3c2)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)anthracene?
The InChIKey is SBRQNKBBOAJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20/c1-16(2)17-8-5-9-20(12-17)21-10-11-22-13-18-6-3-4-7-19(18)14-23(22)15-21/h3-16H,1-2H3.
What are the key properties of 2-(3-propan-2-ylphenyl)anthracene?
2-(3-propan-2-ylphenyl)anthracene has a molecular weight of 296.41 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)anthracene is sourced from PubChem (CID 175212128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).