12-bromo-7H-[1]benzofuro[2,3-b]carbazole

C18H10BrNO — CID 146019056

IUPAC12-bromo-7H-[1]benzofuro[2,3-b]carbazole
SMILESBrc1c2c(cc3oc4ccccc4c13)[nH]c1ccccc12
InChIInChI=1S/C18H10BrNO/c19-18-16-10-5-1-3-7-12(10)20-13(16)9-15-17(18)11-6-2-4-8-14(11)21-15/h1-9,20H
InChIKeyNMQJDDRRLQRXSV-UHFFFAOYSA-N
MW336.19 g/mol
LogP5.98
Rot. Bonds

About 12-bromo-7H-[1]benzofuro[2,3-b]carbazole

12-bromo-7H-[1]benzofuro[2,3-b]carbazole (PubChem CID 146019056) has the molecular formula C18H10BrNO and a molecular weight of 336.19 g/mol. Its IUPAC name is 12-bromo-7H-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name12-bromo-7H-[1]benzofuro[2,3-b]carbazole
PubChem CID146019056
Molecular FormulaC18H10BrNO
Molecular Weight336.19 g/mol
Exact Mass334.99
IUPAC Name12-bromo-7H-[1]benzofuro[2,3-b]carbazole
SMILESBrc1c2c(cc3oc4ccccc4c13)[nH]c1ccccc12
InChIInChI=1S/C18H10BrNO/c19-18-16-10-5-1-3-7-12(10)20-13(16)9-15-17(18)11-6-2-4-8-14(11)21-15/h1-9,20H
InChIKeyNMQJDDRRLQRXSV-UHFFFAOYSA-N
XLogP5.98
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.19
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

12,26-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.06,11.022,34.025,33.027,32]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,22(34),23,25(33),27,29,31-pentadecaene
CID 142744192
1,2,3,4-tetrabromo-9H-carbazole
CID 70631482
12H-[1]benzofuro[3,2-a]carbazole;ethane
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9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
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5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
18-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
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9H-carbazole
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1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
3-bromo-1-methylsulfanyldibenzofuran
CID 19887832
8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
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CID 138481410

Frequently Asked Questions

What is the IUPAC name of 12-bromo-7H-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 12-bromo-7H-[1]benzofuro[2,3-b]carbazole (CID 146019056) is 12-bromo-7H-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 12-bromo-7H-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 12-bromo-7H-[1]benzofuro[2,3-b]carbazole is Brc1c2c(cc3oc4ccccc4c13)[nH]c1ccccc12.
What is the InChIKey of 12-bromo-7H-[1]benzofuro[2,3-b]carbazole?
The InChIKey is NMQJDDRRLQRXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO/c19-18-16-10-5-1-3-7-12(10)20-13(16)9-15-17(18)11-6-2-4-8-14(11)21-15/h1-9,20H.
What are the key properties of 12-bromo-7H-[1]benzofuro[2,3-b]carbazole?
12-bromo-7H-[1]benzofuro[2,3-b]carbazole has a molecular weight of 336.19 g/mol, XLogP of 5.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-7H-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146019056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).