4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C40H24N4O — CID 176819166

IUPAC4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C40H24N4O/c1-2-11-25(12-3-1)40-43-36(39-38(44-40)32-18-7-9-20-35(32)45-39)28-14-10-13-26(23-28)27-21-22-41-34(24-27)37-31-17-5-4-15-29(31)30-16-6-8-19-33(30)42-37/h1-24H
InChIKeyRSMRNWLYNNPOEV-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176819166) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176819166
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C40H24N4O/c1-2-11-25(12-3-1)40-43-36(39-38(44-40)32-18-7-9-20-35(32)45-39)28-14-10-13-26(23-28)27-21-22-41-34(24-27)37-31-17-5-4-15-29(31)30-16-6-8-19-33(30)42-37/h1-24H
InChIKeyRSMRNWLYNNPOEV-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 176819148
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176818985
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700
6-[4-[3-(4-phenylquinazolin-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819141
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
2-chloro-4-[3-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122490040

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 176819166) is 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)c3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RSMRNWLYNNPOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-2-11-25(12-3-1)40-43-36(39-38(44-40)32-18-7-9-20-35(32)45-39)28-14-10-13-26(23-28)27-21-22-41-34(24-27)37-31-17-5-4-15-29(31)30-16-6-8-19-33(30)42-37/h1-24H.
What are the key properties of 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176819166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).