1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene

C124H142N4OS2 — CID 159386439

IUPAC1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2cccs2)cc1.CC(C)(C)c1cncc(C#Cc2ccccc2)c1.CC(C)(C)c1cncc(CCc2ccccc2)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H21N.C17H17N.C16H18.2C15H17N.C15H18O.C15H18S.C14H16S/c2*1-17(2,3)16-11-15(12-18-13-16)10-9-14-7-5-4-6-8-14;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;2*1-11-5-10-14(16-11)12-6-8-13(9-7-12)15(2,3)4;1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h4-8,11-13H,9-10H2,1-3H3;4-8,11-13H,1-3H3;4-12H,1-3H3;2*4-11H,1-3H3;2*5-10H,1-4H3;4-10H,1-3H3
InChIKeyLLOAWOLPQXSGKA-UHFFFAOYSA-N
MW1768.66 g/mol
LogP34.97
Rot. Bonds9

About 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene

1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene (PubChem CID 159386439) has the molecular formula C124H142N4OS2 and a molecular weight of 1768.66 g/mol. Its IUPAC name is 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene.

Molecular Properties

Compound Name1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene
PubChem CID159386439
Molecular FormulaC124H142N4OS2
Molecular Weight1768.66 g/mol
Exact Mass1767.06
IUPAC Name1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2cccs2)cc1.CC(C)(C)c1cncc(C#Cc2ccccc2)c1.CC(C)(C)c1cncc(CCc2ccccc2)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H21N.C17H17N.C16H18.2C15H17N.C15H18O.C15H18S.C14H16S/c2*1-17(2,3)16-11-15(12-18-13-16)10-9-14-7-5-4-6-8-14;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;2*1-11-5-10-14(16-11)12-6-8-13(9-7-12)15(2,3)4;1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h4-8,11-13H,9-10H2,1-3H3;4-8,11-13H,1-3H3;4-12H,1-3H3;2*4-11H,1-3H3;2*5-10H,1-4H3;4-10H,1-3H3
InChIKeyLLOAWOLPQXSGKA-UHFFFAOYSA-N
XLogP34.97
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001768.66
LogP ≤ 534.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene with MolForge

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Related Compounds

2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[8-[8-(8-Pyrazin-2-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]pyrazine
CID 58501540
2-[2-[8-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 58501591
5-[5-(7-Methyldibenzofuran-3-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)pyridine
CID 59646220
2-[2-[8-[(Z)-4-[3-methyl-5-(2-pyridin-2-ylphenyl)-1-benzothiophen-2-yl]but-3-en-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 68173043
2-[3-(8-Thiophen-2-yldibenzofuran-2-yl)phenyl]pyridine
CID 71277983
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
CID 118477892
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine
CID 118477925
2-Dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
CID 118477935
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-9,9-dimethylfluoren-2-yl]pyridine
CID 118477963
N-[4-[5-[4-(N-pyridin-3-yl-4-thiophen-2-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-thiophen-2-ylphenyl)pyridin-3-amine
CID 122659583

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene?
The IUPAC name of 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene (CID 159386439) is 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene.
What is the SMILES notation for 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene?
The canonical SMILES for 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2cccs2)cc1.CC(C)(C)c1cncc(C#Cc2ccccc2)c1.CC(C)(C)c1cncc(CCc2ccccc2)c1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1.Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene?
The InChIKey is LLOAWOLPQXSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C17H17N.C16H18.2C15H17N.C15H18O.C15H18S.C14H16S/c2*1-17(2,3)16-11-15(12-18-13-16)10-9-14-7-5-4-6-8-14;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;2*1-11-5-10-14(16-11)12-6-8-13(9-7-12)15(2,3)4;1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h4-8,11-13H,9-10H2,1-3H3;4-8,11-13H,1-3H3;4-12H,1-3H3;2*4-11H,1-3H3;2*5-10H,1-4H3;4-10H,1-3H3.
What are the key properties of 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene?
1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene has a molecular weight of 1768.66 g/mol, XLogP of 34.97, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene is sourced from PubChem (CID 159386439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).