1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine

C46H52N2 — CID 159626068

IUPAC1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1
InChIInChI=1S/C28H26.2C9H13N/c1-28(2,3)27-17-11-10-16-26(27)25-19-23(21-12-6-4-7-13-21)18-24(20-25)22-14-8-5-9-15-22;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h4-20H,1-3H3;2*4-7H,1-3H3
InChIKeyMOMUXKAECGSCPY-UHFFFAOYSA-N
MW632.94 g/mol
LogP12.74
Rot. Bonds3

About 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine

1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine (PubChem CID 159626068) has the molecular formula C46H52N2 and a molecular weight of 632.94 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine
PubChem CID159626068
Molecular FormulaC46H52N2
Molecular Weight632.94 g/mol
Exact Mass632.41
IUPAC Name1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1
InChIInChI=1S/C28H26.2C9H13N/c1-28(2,3)27-17-11-10-16-26(27)25-19-23(21-12-6-4-7-13-21)18-24(20-25)22-14-8-5-9-15-22;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h4-20H,1-3H3;2*4-7H,1-3H3
InChIKeyMOMUXKAECGSCPY-UHFFFAOYSA-N
XLogP12.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.94
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine
CID 176828009
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
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
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
CID 159293267
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-(2-tert-butyl-4-methylphenyl)pyridine
CID 130318628
tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-2,3,4,5,6-pentadeuteriobenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;3-tert-butylpyridine
CID 158787158
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine?
The IUPAC name of 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine (CID 159626068) is 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine?
The canonical SMILES for 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine is CC(C)(C)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine?
The InChIKey is MOMUXKAECGSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26.2C9H13N/c1-28(2,3)27-17-11-10-16-26(27)25-19-23(21-12-6-4-7-13-21)18-24(20-25)22-14-8-5-9-15-22;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8/h4-20H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine?
1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine has a molecular weight of 632.94 g/mol, XLogP of 12.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3,5-diphenylbenzene;3-tert-butylpyridine;4-tert-butylpyridine is sourced from PubChem (CID 159626068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).