6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine

C38H24N4 — CID 176819141

IUPAC6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C38H24N4/c1-2-11-25(12-3-1)36-32-18-7-9-20-34(32)41-38(42-36)28-14-10-13-26(23-28)27-21-22-39-35(24-27)37-31-17-5-4-15-29(31)30-16-6-8-19-33(30)40-37/h1-24H
InChIKeyORURUHJLMNCTPT-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine

6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine (PubChem CID 176819141) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine.

Molecular Properties

Compound Name6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
PubChem CID176819141
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C38H24N4/c1-2-11-25(12-3-1)36-32-18-7-9-20-34(32)41-38(42-36)28-14-10-13-26(23-28)27-21-22-39-35(24-27)37-31-17-5-4-15-29(31)30-16-6-8-19-33(30)40-37/h1-24H
InChIKeyORURUHJLMNCTPT-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176818985
6-[4-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819198
4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 176819166
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
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475063
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
CID 129265621
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149
6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819218
3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
CID 122487385

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine?
The IUPAC name of 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine (CID 176819141) is 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine.
What is the SMILES notation for 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine?
The canonical SMILES for 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine is c1ccc(-c2nc(-c3cccc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)c3)nc3ccccc23)cc1.
What is the InChIKey of 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine?
The InChIKey is ORURUHJLMNCTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-2-11-25(12-3-1)36-32-18-7-9-20-34(32)41-38(42-36)28-14-10-13-26(23-28)27-21-22-39-35(24-27)37-31-17-5-4-15-29(31)30-16-6-8-19-33(30)40-37/h1-24H.
What are the key properties of 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine?
6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176819141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).