1-(4-tert-butylphenyl)phenanthrene

C24H22 — CID 160779403

IUPAC1-(4-tert-butylphenyl)phenanthrene
SMILESCC(C)(C)c1ccc(-c2cccc3c2ccc2ccccc23)cc1
InChIInChI=1S/C24H22/c1-24(2,3)19-14-11-18(12-15-19)21-9-6-10-22-20-8-5-4-7-17(20)13-16-23(21)22/h4-16H,1-3H3
InChIKeySAJKDIWMIZVNMX-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.96
Rot. Bonds1

About 1-(4-tert-butylphenyl)phenanthrene

1-(4-tert-butylphenyl)phenanthrene (PubChem CID 160779403) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)phenanthrene.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)phenanthrene
PubChem CID160779403
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-(4-tert-butylphenyl)phenanthrene
SMILESCC(C)(C)c1ccc(-c2cccc3c2ccc2ccccc23)cc1
InChIInChI=1S/C24H22/c1-24(2,3)19-14-11-18(12-15-19)21-9-6-10-22-20-8-5-4-7-17(20)13-16-23(21)22/h4-16H,1-3H3
InChIKeySAJKDIWMIZVNMX-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
CID 59629654
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
1-(bromomethyl)-5-(4-tert-butylphenyl)naphthalene
CID 70653135
N-(4-tert-butylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289912
1-phenylphenanthrene;pyrazine
CID 175377735
9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58194514
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
3-[10-(4-tert-butylphenyl)anthracen-9-yl]-7-naphthalen-1-yldibenzofuran
CID 58991761

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)phenanthrene?
The IUPAC name of 1-(4-tert-butylphenyl)phenanthrene (CID 160779403) is 1-(4-tert-butylphenyl)phenanthrene.
What is the SMILES notation for 1-(4-tert-butylphenyl)phenanthrene?
The canonical SMILES for 1-(4-tert-butylphenyl)phenanthrene is CC(C)(C)c1ccc(-c2cccc3c2ccc2ccccc23)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)phenanthrene?
The InChIKey is SAJKDIWMIZVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-24(2,3)19-14-11-18(12-15-19)21-9-6-10-22-20-8-5-4-7-17(20)13-16-23(21)22/h4-16H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)phenanthrene?
1-(4-tert-butylphenyl)phenanthrene has a molecular weight of 310.44 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)phenanthrene is sourced from PubChem (CID 160779403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).