5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole

C22H12ClN3O — CID 89013113

IUPAC5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESClc1ccnc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)n1
InChIInChI=1S/C22H12ClN3O/c23-19-11-12-24-22(25-19)26-16-7-3-1-6-15(16)20-17(26)10-9-14-13-5-2-4-8-18(13)27-21(14)20/h1-12H
InChIKeySPQILWCSXNKBTL-UHFFFAOYSA-N
MW369.81 g/mol
LogP6.13
Rot. Bonds1

About 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 89013113) has the molecular formula C22H12ClN3O and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID89013113
Molecular FormulaC22H12ClN3O
Molecular Weight369.81 g/mol
Exact Mass369.07
IUPAC Name5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESClc1ccnc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)n1
InChIInChI=1S/C22H12ClN3O/c23-19-11-12-24-22(25-19)26-16-7-3-1-6-15(16)20-17(26)10-9-14-13-5-2-4-8-18(13)27-21(14)20/h1-12H
InChIKeySPQILWCSXNKBTL-UHFFFAOYSA-N
XLogP6.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.81
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163673833
12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502599
5-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163570321
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
10-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 140957222
4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543546
5-[2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 162500626
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166078

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 89013113) is 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole is Clc1ccnc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)n1.
What is the InChIKey of 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is SPQILWCSXNKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClN3O/c23-19-11-12-24-22(25-19)26-16-7-3-1-6-15(16)20-17(26)10-9-14-13-5-2-4-8-18(13)27-21(14)20/h1-12H.
What are the key properties of 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 369.81 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 89013113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).