4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine

C26H13ClN2O — CID 137424604

IUPAC4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)nc2oc3ccccc3c12
InChIInChI=1S/C26H13ClN2O/c27-24-23-20-8-3-4-11-21(20)30-26(23)29-25(28-24)19-13-12-18-15-7-2-1-6-14(15)16-9-5-10-17(19)22(16)18/h1-13H
InChIKeyDDAUEJRDCBVWLB-UHFFFAOYSA-N
MW404.86 g/mol
LogP7.50
Rot. Bonds1

About 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine

4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 137424604) has the molecular formula C26H13ClN2O and a molecular weight of 404.86 g/mol. Its IUPAC name is 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID137424604
Molecular FormulaC26H13ClN2O
Molecular Weight404.86 g/mol
Exact Mass404.07
IUPAC Name4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)nc2oc3ccccc3c12
InChIInChI=1S/C26H13ClN2O/c27-24-23-20-8-3-4-11-21(20)30-26(23)29-25(28-24)19-13-12-18-15-7-2-1-6-14(15)16-9-5-10-17(19)22(16)18/h1-13H
InChIKeyDDAUEJRDCBVWLB-UHFFFAOYSA-N
XLogP7.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785124
9-(4-dibenzofuran-1-yl-6-fluoranthen-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801679
2,4-dichloro-6-fluoranthen-3-yl-1,3,5-triazine;fluoranthene;2,4,6-trichloro-1,3,5-triazine
CID 160640226
2-phenyl-4-[2-[2-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489892
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-naphthalen-1-yl-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 129129194
2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine
CID 171812786
2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489923
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine (CID 137424604) is 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine is Clc1nc(-c2ccc3c4c(cccc24)-c2ccccc2-3)nc2oc3ccccc3c12.
What is the InChIKey of 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is DDAUEJRDCBVWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13ClN2O/c27-24-23-20-8-3-4-11-21(20)30-26(23)29-25(28-24)19-13-12-18-15-7-2-1-6-14(15)16-9-5-10-17(19)22(16)18/h1-13H.
What are the key properties of 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine?
4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 404.86 g/mol, XLogP of 7.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoranthen-3-yl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 137424604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).