8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole

C30H16BrNO2 — CID 143904917

IUPAC8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
SMILESBrc1ccc2[nH]c3cc4c(cc3c2c1)oc1ccc(-c2ccc3oc5ccccc5c3c2)cc14
InChIInChI=1S/C30H16BrNO2/c31-18-7-8-25-20(13-18)21-15-30-24(14-26(21)32-25)23-12-17(6-10-29(23)34-30)16-5-9-28-22(11-16)19-3-1-2-4-27(19)33-28/h1-15,32H
InChIKeyQKUPSRJTGFQSNN-UHFFFAOYSA-N
MW502.37 g/mol
LogP9.55
Rot. Bonds1

About 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole

8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole (PubChem CID 143904917) has the molecular formula C30H16BrNO2 and a molecular weight of 502.37 g/mol. Its IUPAC name is 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
PubChem CID143904917
Molecular FormulaC30H16BrNO2
Molecular Weight502.37 g/mol
Exact Mass501.04
IUPAC Name8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
SMILESBrc1ccc2[nH]c3cc4c(cc3c2c1)oc1ccc(-c2ccc3oc5ccccc5c3c2)cc14
InChIInChI=1S/C30H16BrNO2/c31-18-7-8-25-20(13-18)21-15-30-24(14-26(21)32-25)23-12-17(6-10-29(23)34-30)16-5-9-28-22(11-16)19-3-1-2-4-27(19)33-28/h1-15,32H
InChIKeyQKUPSRJTGFQSNN-UHFFFAOYSA-N
XLogP9.55
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
CID 142742550
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
6-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 142487676
CID 177209579
CID 177209579
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
CID 126621732
4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 145347853
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
7-bromo-2-dibenzothiophen-2-yldibenzofuran
CID 170101109
1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole
CID 142568680
6-bromo-2-phenyl-9H-carbazole
CID 118493011
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
2-bromodibenzofuran;4-dibenzofuran-2-ylaniline;2-[4-(dibenzofuran-2-ylmethyl)phenyl]dibenzofuran
CID 161325383

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole (CID 143904917) is 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole is Brc1ccc2[nH]c3cc4c(cc3c2c1)oc1ccc(-c2ccc3oc5ccccc5c3c2)cc14.
What is the InChIKey of 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole?
The InChIKey is QKUPSRJTGFQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16BrNO2/c31-18-7-8-25-20(13-18)21-15-30-24(14-26(21)32-25)23-12-17(6-10-29(23)34-30)16-5-9-28-22(11-16)19-3-1-2-4-27(19)33-28/h1-15,32H.
What are the key properties of 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole?
8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole has a molecular weight of 502.37 g/mol, XLogP of 9.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 143904917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).