4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine

C36H31N — CID 172506461

IUPAC4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine
SMILESCc1cnc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C36H31N/c1-24-23-37-35(22-33(24)25-16-18-29(19-17-25)36(2,3)4)28-12-9-11-26(20-28)34-21-27-10-5-6-13-30(27)31-14-7-8-15-32(31)34/h5-23H,1-4H3
InChIKeyOMZQTRUUOPSEOD-UHFFFAOYSA-N
MW477.65 g/mol
LogP9.99
Rot. Bonds3

About 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine

4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine (PubChem CID 172506461) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine
PubChem CID172506461
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine
SMILESCc1cnc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C36H31N/c1-24-23-37-35(22-33(24)25-16-18-29(19-17-25)36(2,3)4)28-12-9-11-26(20-28)34-21-27-10-5-6-13-30(27)31-14-7-8-15-32(31)34/h5-23H,1-4H3
InChIKeyOMZQTRUUOPSEOD-UHFFFAOYSA-N
XLogP9.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 59.99
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

5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
CID 170539352
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464
4-(3-methylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 129128235
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
4-(2,2-dimethylpropyl)-5-methyl-2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine;iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine
CID 172506655
1-(4-tert-butylphenyl)phenanthrene
CID 160779403

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine (CID 172506461) is 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine is Cc1cnc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine?
The InChIKey is OMZQTRUUOPSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-24-23-37-35(22-33(24)25-16-18-29(19-17-25)36(2,3)4)28-12-9-11-26(20-28)34-21-27-10-5-6-13-30(27)31-14-7-8-15-32(31)34/h5-23H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine?
4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine has a molecular weight of 477.65 g/mol, XLogP of 9.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine is sourced from PubChem (CID 172506461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).