3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine

C33H21N3 — CID 155792785

IUPAC3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)ncc3ccccc34)cc2)cc1
InChIInChI=1S/C33H21N3/c1-2-8-23(9-3-1)32-33(36-30-13-7-6-12-29(30)35-32)24-16-14-22(15-17-24)25-18-19-28-27-11-5-4-10-26(27)21-34-31(28)20-25/h1-21H
InChIKeyZSEWSRPPZLYRNL-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

About 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine

3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine (PubChem CID 155792785) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine.

Molecular Properties

Compound Name3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
PubChem CID155792785
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)ncc3ccccc34)cc2)cc1
InChIInChI=1S/C33H21N3/c1-2-8-23(9-3-1)32-33(36-30-13-7-6-12-29(30)35-32)24-16-14-22(15-17-24)25-18-19-28-27-11-5-4-10-26(27)21-34-31(28)20-25/h1-21H
InChIKeyZSEWSRPPZLYRNL-UHFFFAOYSA-N
XLogP8.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 155792486
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
3-(4-iodophenyl)phenanthridine
CID 144968877
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
CID 155792621
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
CID 155792666
phenanthridine
CID 9189
2-[3-(3-phenanthridin-3-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155792675
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
phenanthridine;platinum(2+)
CID 23616726
6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine
CID 155792797

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine?
The IUPAC name of 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine (CID 155792785) is 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine.
What is the SMILES notation for 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine?
The canonical SMILES for 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine is c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)ncc3ccccc34)cc2)cc1.
What is the InChIKey of 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine?
The InChIKey is ZSEWSRPPZLYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-8-23(9-3-1)32-33(36-30-13-7-6-12-29(30)35-32)24-16-14-22(15-17-24)25-18-19-28-27-11-5-4-10-26(27)21-34-31(28)20-25/h1-21H.
What are the key properties of 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine?
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine has a molecular weight of 459.55 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine is sourced from PubChem (CID 155792785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).