2-tert-butyl-1-(4-phenylphenyl)anthracene

C30H26 — CID 154099301

IUPAC2-tert-butyl-1-(4-phenylphenyl)anthracene
SMILESCC(C)(C)c1ccc2cc3ccccc3cc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H26/c1-30(2,3)28-18-17-26-19-24-11-7-8-12-25(24)20-27(26)29(28)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3
InChIKeyHJPGKSRMTOGMEJ-UHFFFAOYSA-N
MW386.54 g/mol
LogP8.62
Rot. Bonds2

About 2-tert-butyl-1-(4-phenylphenyl)anthracene

2-tert-butyl-1-(4-phenylphenyl)anthracene (PubChem CID 154099301) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-tert-butyl-1-(4-phenylphenyl)anthracene
PubChem CID154099301
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name2-tert-butyl-1-(4-phenylphenyl)anthracene
SMILESCC(C)(C)c1ccc2cc3ccccc3cc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H26/c1-30(2,3)28-18-17-26-19-24-11-7-8-12-25(24)20-27(26)29(28)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3
InChIKeyHJPGKSRMTOGMEJ-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 58.62
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

4-N-[4-(2-tert-butylanthracen-1-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 87488226
1,2,3-tris(3,4-ditert-butylphenyl)anthracene
CID 152631065
N-[4-(2-tert-butylanthracen-1-yl)phenyl]-4-[4-(9H-carbazol-4-yl)phenyl]aniline
CID 140574006
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
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
1,2-diphenylpentacene
CID 22247158
N,N-dimethyl-1-phenylanthracen-2-amine
CID 175971860
3-phenylbenzo[a]anthracene
CID 59412661
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
10-tert-butyl-3-phenylphenanthrene
CID 164811784
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-phenylphenyl)anthracene?
The IUPAC name of 2-tert-butyl-1-(4-phenylphenyl)anthracene (CID 154099301) is 2-tert-butyl-1-(4-phenylphenyl)anthracene.
What is the SMILES notation for 2-tert-butyl-1-(4-phenylphenyl)anthracene?
The canonical SMILES for 2-tert-butyl-1-(4-phenylphenyl)anthracene is CC(C)(C)c1ccc2cc3ccccc3cc2c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-phenylphenyl)anthracene?
The InChIKey is HJPGKSRMTOGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-30(2,3)28-18-17-26-19-24-11-7-8-12-25(24)20-27(26)29(28)23-15-13-22(14-16-23)21-9-5-4-6-10-21/h4-20H,1-3H3.
What are the key properties of 2-tert-butyl-1-(4-phenylphenyl)anthracene?
2-tert-butyl-1-(4-phenylphenyl)anthracene has a molecular weight of 386.54 g/mol, XLogP of 8.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-phenylphenyl)anthracene is sourced from PubChem (CID 154099301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).