3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine

C23H13BrN2O — CID 171415869

IUPAC3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine
SMILESBrc1ccc2c3ccccc3n(-c3cc4oc5ccccc5c4cn3)c2c1
InChIInChI=1S/C23H13BrN2O/c24-14-9-10-16-15-5-1-3-7-19(15)26(20(16)11-14)23-12-22-18(13-25-23)17-6-2-4-8-21(17)27-22/h1-13H
InChIKeyWPPKKSVKQCSRNZ-UHFFFAOYSA-N
MW413.27 g/mol
LogP6.84
Rot. Bonds1

About 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine

3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 171415869) has the molecular formula C23H13BrN2O and a molecular weight of 413.27 g/mol. Its IUPAC name is 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine
PubChem CID171415869
Molecular FormulaC23H13BrN2O
Molecular Weight413.27 g/mol
Exact Mass412.02
IUPAC Name3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine
SMILESBrc1ccc2c3ccccc3n(-c3cc4oc5ccccc5c4cn3)c2c1
InChIInChI=1S/C23H13BrN2O/c24-14-9-10-16-15-5-1-3-7-19(15)26(20(16)11-14)23-12-22-18(13-25-23)17-6-2-4-8-21(17)27-22/h1-13H
InChIKeyWPPKKSVKQCSRNZ-UHFFFAOYSA-N
XLogP6.84
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.27
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118502539
2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 118915707
3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 90086397
9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole
CID 147846863
3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
CID 171416094
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
2-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole
CID 165036861
3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole
CID 129180922
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
9-(5-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147021

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine (CID 171415869) is 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine is Brc1ccc2c3ccccc3n(-c3cc4oc5ccccc5c4cn3)c2c1.
What is the InChIKey of 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is WPPKKSVKQCSRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrN2O/c24-14-9-10-16-15-5-1-3-7-19(15)26(20(16)11-14)23-12-22-18(13-25-23)17-6-2-4-8-21(17)27-22/h1-13H.
What are the key properties of 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine?
3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 413.27 g/mol, XLogP of 6.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromocarbazol-9-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 171415869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).