5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine

C33H27N — CID 170520847

IUPAC5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine
SMILESCC(C)(C)c1cnc(-c2ccccc2)cc1-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C33H27N/c1-33(2,3)31-21-34-32(22-11-5-4-6-12-22)20-29(31)23-17-18-28-26-15-8-7-13-24(26)25-14-9-10-16-27(25)30(28)19-23/h4-21H,1-3H3
InChIKeyPHURHQYASHFFJI-UHFFFAOYSA-N
MW437.59 g/mol
LogP9.17
Rot. Bonds2

About 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine

5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine (PubChem CID 170520847) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine
PubChem CID170520847
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC Name5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine
SMILESCC(C)(C)c1cnc(-c2ccccc2)cc1-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C33H27N/c1-33(2,3)31-21-34-32(22-11-5-4-6-12-22)20-29(31)23-17-18-28-26-15-8-7-13-24(26)25-14-9-10-16-27(25)30(28)19-23/h4-21H,1-3H3
InChIKeyPHURHQYASHFFJI-UHFFFAOYSA-N
XLogP9.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
(4-tert-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140710315
3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575305
2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine
CID 130304884
10-tert-butyl-3-phenylphenanthrene
CID 164811784
4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine
CID 172506461
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
5-tert-butyl-4-fluoro-2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 170152904
4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 137389670
4-tert-butyl-1-(4-tert-butylphenyl)isoquinoline
CID 167106571
2-tert-butyl-8-(8-tert-butyl-6,12-diphenylchrysen-2-yl)-6,12-diphenylchrysene
CID 58501303

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine?
The IUPAC name of 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine (CID 170520847) is 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine.
What is the SMILES notation for 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine?
The canonical SMILES for 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine is CC(C)(C)c1cnc(-c2ccccc2)cc1-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine?
The InChIKey is PHURHQYASHFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-33(2,3)31-21-34-32(22-11-5-4-6-12-22)20-29(31)23-17-18-28-26-15-8-7-13-24(26)25-14-9-10-16-27(25)30(28)19-23/h4-21H,1-3H3.
What are the key properties of 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine?
5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine has a molecular weight of 437.59 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine is sourced from PubChem (CID 170520847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).