2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole

C36H22BrNO — CID 118337417

IUPAC2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole
SMILESBrc1cccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4cccc5oc6ccccc6c45)c3c2)c1
InChIInChI=1S/C36H22BrNO/c37-25-10-7-9-23(21-25)26-11-1-2-12-27(26)24-19-20-29-28-13-3-5-15-31(28)38(33(29)22-24)32-16-8-18-35-36(32)30-14-4-6-17-34(30)39-35/h1-22H
InChIKeyAWFXCZWKXDVTOJ-UHFFFAOYSA-N
MW564.48 g/mol
LogP10.78
Rot. Bonds3

About 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole

2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole (PubChem CID 118337417) has the molecular formula C36H22BrNO and a molecular weight of 564.48 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole
PubChem CID118337417
Molecular FormulaC36H22BrNO
Molecular Weight564.48 g/mol
Exact Mass563.09
IUPAC Name2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole
SMILESBrc1cccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4cccc5oc6ccccc6c45)c3c2)c1
InChIInChI=1S/C36H22BrNO/c37-25-10-7-9-23(21-25)26-11-1-2-12-27(26)24-19-20-29-28-13-3-5-15-31(28)38(33(29)22-24)32-16-8-18-35-36(32)30-14-4-6-17-34(30)39-35/h1-22H
InChIKeyAWFXCZWKXDVTOJ-UHFFFAOYSA-N
XLogP10.78
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.48
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole
CID 169015179
2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201075
3-(9-dibenzofuran-1-ylcarbazol-2-yl)-N,N-diphenylaniline
CID 118505905
2-dibenzofuran-1-yl-9-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 156521803
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080487
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole?
The IUPAC name of 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole (CID 118337417) is 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole.
What is the SMILES notation for 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole?
The canonical SMILES for 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole is Brc1cccc(-c2ccccc2-c2ccc3c4ccccc4n(-c4cccc5oc6ccccc6c45)c3c2)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole?
The InChIKey is AWFXCZWKXDVTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BrNO/c37-25-10-7-9-23(21-25)26-11-1-2-12-27(26)24-19-20-29-28-13-3-5-15-31(28)38(33(29)22-24)32-16-8-18-35-36(32)30-14-4-6-17-34(30)39-35/h1-22H.
What are the key properties of 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole?
2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole has a molecular weight of 564.48 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole is sourced from PubChem (CID 118337417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).