3-(4-phenylquinazolin-2-yl)phenanthridine

C27H17N3 — CID 155792537

IUPAC3-(4-phenylquinazolin-2-yl)phenanthridine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)ncc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C27H17N3/c1-2-8-18(9-3-1)26-23-12-6-7-13-24(23)29-27(30-26)19-14-15-22-21-11-5-4-10-20(21)17-28-25(22)16-19/h1-17H
InChIKeyCBTPPSYIWSTBRT-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.67
Rot. Bonds2

About 3-(4-phenylquinazolin-2-yl)phenanthridine

3-(4-phenylquinazolin-2-yl)phenanthridine (PubChem CID 155792537) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(4-phenylquinazolin-2-yl)phenanthridine.

Molecular Properties

Compound Name3-(4-phenylquinazolin-2-yl)phenanthridine
PubChem CID155792537
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name3-(4-phenylquinazolin-2-yl)phenanthridine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)ncc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C27H17N3/c1-2-8-18(9-3-1)26-23-12-6-7-13-24(23)29-27(30-26)19-14-15-22-21-11-5-4-10-20(21)17-28-25(22)16-19/h1-17H
InChIKeyCBTPPSYIWSTBRT-UHFFFAOYSA-N
XLogP6.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.67
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-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 155792486
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
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-[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-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
3-(4-phenylquinazolin-2-yl)-5H-benzo[b]carbazole
CID 149263737
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylquinazolin-2-yl)phenanthridine?
The IUPAC name of 3-(4-phenylquinazolin-2-yl)phenanthridine (CID 155792537) is 3-(4-phenylquinazolin-2-yl)phenanthridine.
What is the SMILES notation for 3-(4-phenylquinazolin-2-yl)phenanthridine?
The canonical SMILES for 3-(4-phenylquinazolin-2-yl)phenanthridine is c1ccc(-c2nc(-c3ccc4c(c3)ncc3ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 3-(4-phenylquinazolin-2-yl)phenanthridine?
The InChIKey is CBTPPSYIWSTBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c1-2-8-18(9-3-1)26-23-12-6-7-13-24(23)29-27(30-26)19-14-15-22-21-11-5-4-10-20(21)17-28-25(22)16-19/h1-17H.
What are the key properties of 3-(4-phenylquinazolin-2-yl)phenanthridine?
3-(4-phenylquinazolin-2-yl)phenanthridine has a molecular weight of 383.45 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylquinazolin-2-yl)phenanthridine is sourced from PubChem (CID 155792537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).