9-tert-butyl-1-phenylphenanthrene

C24H22 — CID 166007758

IUPAC9-tert-butyl-1-phenylphenanthrene
SMILESCC(C)(C)c1cc2c(-c3ccccc3)cccc2c2ccccc12
InChIInChI=1S/C24H22/c1-24(2,3)23-16-22-18(17-10-5-4-6-11-17)14-9-15-20(22)19-12-7-8-13-21(19)23/h4-16H,1-3H3
InChIKeyWDXZDDYVUFAUAW-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.96
Rot. Bonds1

About 9-tert-butyl-1-phenylphenanthrene

9-tert-butyl-1-phenylphenanthrene (PubChem CID 166007758) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 9-tert-butyl-1-phenylphenanthrene.

Molecular Properties

Compound Name9-tert-butyl-1-phenylphenanthrene
PubChem CID166007758
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name9-tert-butyl-1-phenylphenanthrene
SMILESCC(C)(C)c1cc2c(-c3ccccc3)cccc2c2ccccc12
InChIInChI=1S/C24H22/c1-24(2,3)23-16-22-18(17-10-5-4-6-11-17)14-9-15-20(22)19-12-7-8-13-21(19)23/h4-16H,1-3H3
InChIKeyWDXZDDYVUFAUAW-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

2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
4-tert-butyl-2-phenylchromenylium
CID 142492656
N-[3-(4-tert-butylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170181041
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
(4,5-diphenylanthracen-9-yl)-dimethylborane
CID 150402531
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
10-tert-butyl-3-phenylphenanthrene
CID 164811784
(2-tert-butyl-6-phenylphenyl)methylphosphane
CID 67259813
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-phenylphenanthrene?
The IUPAC name of 9-tert-butyl-1-phenylphenanthrene (CID 166007758) is 9-tert-butyl-1-phenylphenanthrene.
What is the SMILES notation for 9-tert-butyl-1-phenylphenanthrene?
The canonical SMILES for 9-tert-butyl-1-phenylphenanthrene is CC(C)(C)c1cc2c(-c3ccccc3)cccc2c2ccccc12.
What is the InChIKey of 9-tert-butyl-1-phenylphenanthrene?
The InChIKey is WDXZDDYVUFAUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-24(2,3)23-16-22-18(17-10-5-4-6-11-17)14-9-15-20(22)19-12-7-8-13-21(19)23/h4-16H,1-3H3.
What are the key properties of 9-tert-butyl-1-phenylphenanthrene?
9-tert-butyl-1-phenylphenanthrene 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 9-tert-butyl-1-phenylphenanthrene is sourced from PubChem (CID 166007758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).