11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline

C37H23N3O — CID 138661945

IUPAC11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4c5ccccc5nc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C37H23N3O/c1-3-12-24(13-4-1)26-16-11-17-27(22-26)32-23-31(25-14-5-2-6-15-25)39-37(40-32)34-28-18-7-9-20-30(28)38-35-29-19-8-10-21-33(29)41-36(34)35/h1-23H
InChIKeyMAVIBBPDWJKCKE-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

About 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline

11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661945) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138661945
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4c5ccccc5nc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C37H23N3O/c1-3-12-24(13-4-1)26-16-11-17-27(22-26)32-23-31(25-14-5-2-6-15-25)39-37(40-32)34-28-18-7-9-20-30(28)38-35-29-19-8-10-21-33(29)41-36(34)35/h1-23H
InChIKeyMAVIBBPDWJKCKE-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline
CID 138661762
11-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 159018591
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
14-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124581
14-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123550
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
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-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
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
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600

Frequently Asked Questions

What is the IUPAC name of 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline (CID 138661945) is 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4c5ccccc5nc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is MAVIBBPDWJKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-3-12-24(13-4-1)26-16-11-17-27(22-26)32-23-31(25-14-5-2-6-15-25)39-37(40-32)34-28-18-7-9-20-30(28)38-35-29-19-8-10-21-33(29)41-36(34)35/h1-23H.
What are the key properties of 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline?
11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 525.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).