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

C34H20N4O — CID 176819148

IUPAC4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccnc(-c4nc5ccccc5c5ccccc45)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C34H20N4O/c1-2-10-21(11-3-1)34-37-30(33-32(38-34)26-15-7-9-17-29(26)39-33)22-18-19-35-28(20-22)31-25-14-5-4-12-23(25)24-13-6-8-16-27(24)36-31/h1-20H
InChIKeyFDOKYQAEQOUELL-UHFFFAOYSA-N
MW500.56 g/mol
LogP8.47
Rot. Bonds3

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

4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176819148) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176819148
Molecular FormulaC34H20N4O
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccnc(-c4nc5ccccc5c5ccccc45)c3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C34H20N4O/c1-2-10-21(11-3-1)34-37-30(33-32(38-34)26-15-7-9-17-29(26)39-33)22-18-19-35-28(20-22)31-25-14-5-4-12-23(25)24-13-6-8-16-27(24)36-31/h1-20H
InChIKeyFDOKYQAEQOUELL-UHFFFAOYSA-N
XLogP8.47
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 58.47
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-[3-(2-phenanthridin-6-yl-4-pyridinyl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 176819166
6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine
CID 176818985
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-(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
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
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-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 176819148) is 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccnc(-c4nc5ccccc5c5ccccc45)c3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FDOKYQAEQOUELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c1-2-10-21(11-3-1)34-37-30(33-32(38-34)26-15-7-9-17-29(26)39-33)22-18-19-35-28(20-22)31-25-14-5-4-12-23(25)24-13-6-8-16-27(24)36-31/h1-20H.
What are the key properties of 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 500.56 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenanthridin-6-yl-4-pyridinyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176819148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).