1-(6-bromodibenzofuran-2-yl)indole

C20H12BrNO — CID 121360385

IUPAC1-(6-bromodibenzofuran-2-yl)indole
SMILESBrc1cccc2c1oc1ccc(-n3ccc4ccccc43)cc12
InChIInChI=1S/C20H12BrNO/c21-17-6-3-5-15-16-12-14(8-9-19(16)23-20(15)17)22-11-10-13-4-1-2-7-18(13)22/h1-12H
InChIKeyMACRDIBKEMLRMO-UHFFFAOYSA-N
MW362.23 g/mol
LogP6.29
Rot. Bonds1

About 1-(6-bromodibenzofuran-2-yl)indole

1-(6-bromodibenzofuran-2-yl)indole (PubChem CID 121360385) has the molecular formula C20H12BrNO and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-(6-bromodibenzofuran-2-yl)indole.

Molecular Properties

Compound Name1-(6-bromodibenzofuran-2-yl)indole
PubChem CID121360385
Molecular FormulaC20H12BrNO
Molecular Weight362.23 g/mol
Exact Mass361.01
IUPAC Name1-(6-bromodibenzofuran-2-yl)indole
SMILESBrc1cccc2c1oc1ccc(-n3ccc4ccccc43)cc12
InChIInChI=1S/C20H12BrNO/c21-17-6-3-5-15-16-12-14(8-9-19(16)23-20(15)17)22-11-10-13-4-1-2-7-18(13)22/h1-12H
InChIKeyMACRDIBKEMLRMO-UHFFFAOYSA-N
XLogP6.29
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
CID 145083191
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
CID 162216562
CID 162216562
1-(3-bromo-4-methoxyphenyl)indole
CID 175262004
9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130232168
CID 161494489
CID 161494489
9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole
CID 163843393
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
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
13-(3-indol-1-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 151443133
9-(18-carbazol-9-yl-12-phenanthren-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147464

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromodibenzofuran-2-yl)indole?
The IUPAC name of 1-(6-bromodibenzofuran-2-yl)indole (CID 121360385) is 1-(6-bromodibenzofuran-2-yl)indole.
What is the SMILES notation for 1-(6-bromodibenzofuran-2-yl)indole?
The canonical SMILES for 1-(6-bromodibenzofuran-2-yl)indole is Brc1cccc2c1oc1ccc(-n3ccc4ccccc43)cc12.
What is the InChIKey of 1-(6-bromodibenzofuran-2-yl)indole?
The InChIKey is MACRDIBKEMLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrNO/c21-17-6-3-5-15-16-12-14(8-9-19(16)23-20(15)17)22-11-10-13-4-1-2-7-18(13)22/h1-12H.
What are the key properties of 1-(6-bromodibenzofuran-2-yl)indole?
1-(6-bromodibenzofuran-2-yl)indole has a molecular weight of 362.23 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromodibenzofuran-2-yl)indole is sourced from PubChem (CID 121360385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).