2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C44H26N2O2 — CID 170212173

IUPAC2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)c7ccccc7cc6c45)nc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-13-27(14-4-1)29-18-11-19-31(25-29)40-43-41(33-21-9-10-23-36(33)47-43)46-44(45-40)34-22-12-24-37-39(34)35-26-30-17-7-8-20-32(30)38(42(35)48-37)28-15-5-2-6-16-28/h1-26H
InChIKeyRWGCULDIOUOGRM-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

About 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170212173) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170212173
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)c7ccccc7cc6c45)nc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-13-27(14-4-1)29-18-11-19-31(25-29)40-43-41(33-21-9-10-23-36(33)47-43)46-44(45-40)34-22-12-24-37-39(34)35-26-30-17-7-8-20-32(30)38(42(35)48-37)28-15-5-2-6-16-28/h1-26H
InChIKeyRWGCULDIOUOGRM-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153309581
2-phenyl-4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213085
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
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-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818195
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212992
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-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489845
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 170212173) is 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)c7ccccc7cc6c45)nc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RWGCULDIOUOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-3-13-27(14-4-1)29-18-11-19-31(25-29)40-43-41(33-21-9-10-23-36(33)47-43)46-44(45-40)34-22-12-24-37-39(34)35-26-30-17-7-8-20-32(30)38(42(35)48-37)28-15-5-2-6-16-28/h1-26H.
What are the key properties of 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 614.70 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170212173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).