9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole

C20H12BrNO — CID 90267791

IUPAC9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESBrc1ccc2c(c1)c1c3ccccc3oc1n2-c1ccccc1
InChIInChI=1S/C20H12BrNO/c21-13-10-11-17-16(12-13)19-15-8-4-5-9-18(15)23-20(19)22(17)14-6-2-1-3-7-14/h1-12H
InChIKeyQJMOLNUZGCXUMV-UHFFFAOYSA-N
MW362.23 g/mol
LogP6.29
Rot. Bonds1

About 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole

9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 90267791) has the molecular formula C20H12BrNO and a molecular weight of 362.23 g/mol. Its IUPAC name is 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID90267791
Molecular FormulaC20H12BrNO
Molecular Weight362.23 g/mol
Exact Mass361.01
IUPAC Name9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESBrc1ccc2c(c1)c1c3ccccc3oc1n2-c1ccccc1
InChIInChI=1S/C20H12BrNO/c21-13-10-11-17-16(12-13)19-15-8-4-5-9-18(15)23-20(19)22(17)14-6-2-1-3-7-14/h1-12H
InChIKeyQJMOLNUZGCXUMV-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

9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167587667
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168773
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
8-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168702
6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole
CID 159864008

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole (CID 90267791) is 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole is Brc1ccc2c(c1)c1c3ccccc3oc1n2-c1ccccc1.
What is the InChIKey of 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is QJMOLNUZGCXUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrNO/c21-13-10-11-17-16(12-13)19-15-8-4-5-9-18(15)23-20(19)22(17)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole?
9-bromo-6-phenyl-[1]benzofuro[2,3-b]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 9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 90267791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).