4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine

C30H10F6N4O2 — CID 146262593

IUPAC4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1c(-c2ncnc3c2oc2ccccc23)c(F)c2c(F)c(F)c(-c3ncnc4c3oc3ccccc34)c(F)c2c1F
InChIInChI=1S/C30H10F6N4O2/c31-19-15-16(21(33)23(35)17(19)27-29-25(37-9-39-27)11-5-1-3-7-13(11)41-29)20(32)18(24(36)22(15)34)28-30-26(38-10-40-28)12-6-2-4-8-14(12)42-30/h1-10H
InChIKeyVFVXUWHZOHGFDO-UHFFFAOYSA-N
MW572.42 g/mol
LogP8.39
Rot. Bonds2

About 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 146262593) has the molecular formula C30H10F6N4O2 and a molecular weight of 572.42 g/mol. Its IUPAC name is 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID146262593
Molecular FormulaC30H10F6N4O2
Molecular Weight572.42 g/mol
Exact Mass572.07
IUPAC Name4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESFc1c(-c2ncnc3c2oc2ccccc23)c(F)c2c(F)c(F)c(-c3ncnc4c3oc3ccccc34)c(F)c2c1F
InChIInChI=1S/C30H10F6N4O2/c31-19-15-16(21(33)23(35)17(19)27-29-25(37-9-39-27)11-5-1-3-7-13(11)41-29)20(32)18(24(36)22(15)34)28-30-26(38-10-40-28)12-6-2-4-8-14(12)42-30/h1-10H
InChIKeyVFVXUWHZOHGFDO-UHFFFAOYSA-N
XLogP8.39
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.42
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 146262593) is 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine is Fc1c(-c2ncnc3c2oc2ccccc23)c(F)c2c(F)c(F)c(-c3ncnc4c3oc3ccccc34)c(F)c2c1F.
What is the InChIKey of 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VFVXUWHZOHGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H10F6N4O2/c31-19-15-16(21(33)23(35)17(19)27-29-25(37-9-39-27)11-5-1-3-7-13(11)41-29)20(32)18(24(36)22(15)34)28-30-26(38-10-40-28)12-6-2-4-8-14(12)42-30/h1-10H.
What are the key properties of 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 572.42 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 146262593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).