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

C33H21N3 — CID 155792573

IUPAC3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)ncc4ccccc45)c3)nc3ccccc23)cc1
InChIInChI=1S/C33H21N3/c1-2-9-22(10-3-1)32-29-15-6-7-16-30(29)35-33(36-32)25-13-8-12-23(19-25)24-17-18-28-27-14-5-4-11-26(27)21-34-31(28)20-24/h1-21H
InChIKeyIWOIQFLNJHZLPU-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

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

3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine (PubChem CID 155792573) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine.

Molecular Properties

Compound Name3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
PubChem CID155792573
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)ncc4ccccc45)c3)nc3ccccc23)cc1
InChIInChI=1S/C33H21N3/c1-2-9-22(10-3-1)32-29-15-6-7-16-30(29)35-33(36-32)25-13-8-12-23(19-25)24-17-18-28-27-14-5-4-11-26(27)21-34-31(28)20-24/h1-21H
InChIKeyIWOIQFLNJHZLPU-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-phenylquinazolin-2-yl)phenanthridine
CID 155792537
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 155792486
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
CID 155792621
2-[3-(3-phenanthridin-3-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155792675
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine?
The IUPAC name of 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine (CID 155792573) is 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine.
What is the SMILES notation for 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine?
The canonical SMILES for 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)ncc4ccccc45)c3)nc3ccccc23)cc1.
What is the InChIKey of 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine?
The InChIKey is IWOIQFLNJHZLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-2-9-22(10-3-1)32-29-15-6-7-16-30(29)35-33(36-32)25-13-8-12-23(19-25)24-17-18-28-27-14-5-4-11-26(27)21-34-31(28)20-24/h1-21H.
What are the key properties of 3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine?
3-[3-(4-phenylquinazolin-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-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine is sourced from PubChem (CID 155792573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).