2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine

C40H26N2 — CID 88951343

IUPAC2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine
SMILESc1ccc(-c2cc(-c3cccc4c5ccccc5c5cccc(-c6ccnc(-c7ccccc7)c6)c5c34)ccn2)cc1
InChIInChI=1S/C40H26N2/c1-3-11-27(12-4-1)37-25-29(21-23-41-37)31-17-9-19-35-33-15-7-8-16-34(33)36-20-10-18-32(40(36)39(31)35)30-22-24-42-38(26-30)28-13-5-2-6-14-28/h1-26H
InChIKeyBWOTUOTWLRSISX-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.60
Rot. Bonds4

About 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine

2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine (PubChem CID 88951343) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine
PubChem CID88951343
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine
SMILESc1ccc(-c2cc(-c3cccc4c5ccccc5c5cccc(-c6ccnc(-c7ccccc7)c6)c5c34)ccn2)cc1
InChIInChI=1S/C40H26N2/c1-3-11-27(12-4-1)37-25-29(21-23-41-37)31-17-9-19-35-33-15-7-8-16-34(33)36-20-10-18-32(40(36)39(31)35)30-22-24-42-38(26-30)28-13-5-2-6-14-28/h1-26H
InChIKeyBWOTUOTWLRSISX-UHFFFAOYSA-N
XLogP10.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine?
The IUPAC name of 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine (CID 88951343) is 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine.
What is the SMILES notation for 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine?
The canonical SMILES for 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine is c1ccc(-c2cc(-c3cccc4c5ccccc5c5cccc(-c6ccnc(-c7ccccc7)c6)c5c34)ccn2)cc1.
What is the InChIKey of 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine?
The InChIKey is BWOTUOTWLRSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-3-11-27(12-4-1)37-25-29(21-23-41-37)31-17-9-19-35-33-15-7-8-16-34(33)36-20-10-18-32(40(36)39(31)35)30-22-24-42-38(26-30)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine?
2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine has a molecular weight of 534.66 g/mol, XLogP of 10.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[12-(2-phenyl-4-pyridinyl)triphenylen-1-yl]pyridine is sourced from PubChem (CID 88951343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).