2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C26H15ClN2O — CID 118544103

IUPAC2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2oc3ccccc3c2n1
InChIInChI=1S/C26H15ClN2O/c27-26-28-23(25-24(29-26)21-8-4-5-9-22(21)30-25)20-13-12-18-14-17(10-11-19(18)15-20)16-6-2-1-3-7-16/h1-15H
InChIKeyIRBSOZPBSAACQI-UHFFFAOYSA-N
MW406.87 g/mol
LogP7.52
Rot. Bonds2

About 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 118544103) has the molecular formula C26H15ClN2O and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID118544103
Molecular FormulaC26H15ClN2O
Molecular Weight406.87 g/mol
Exact Mass406.09
IUPAC Name2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2oc3ccccc3c2n1
InChIInChI=1S/C26H15ClN2O/c27-26-28-23(25-24(29-26)21-8-4-5-9-22(21)30-25)20-13-12-18-14-17(10-11-19(18)15-20)16-6-2-1-3-7-16/h1-15H
InChIKeyIRBSOZPBSAACQI-UHFFFAOYSA-N
XLogP7.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122490040
2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118233853
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-(3,5-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
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
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-dibenzothiophen-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158997322
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
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 118544103) is 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is Clc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is IRBSOZPBSAACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClN2O/c27-26-28-23(25-24(29-26)21-8-4-5-9-22(21)30-25)20-13-12-18-14-17(10-11-19(18)15-20)16-6-2-1-3-7-16/h1-15H.
What are the key properties of 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 406.87 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 118544103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).