9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole

C48H28BrNO2 — CID 58536218

IUPAC9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C48H28BrNO2/c49-33-21-15-29(16-22-33)30-17-23-34(24-18-30)50-43-25-19-31(35-9-5-11-39-37-7-1-3-13-45(37)51-47(35)39)27-41(43)42-28-32(20-26-44(42)50)36-10-6-12-40-38-8-2-4-14-46(38)52-48(36)40/h1-28H
InChIKeyBYYSCOJSIKRZMY-UHFFFAOYSA-N
MW730.66 g/mol
LogP14.35
Rot. Bonds4

About 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole

9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole (PubChem CID 58536218) has the molecular formula C48H28BrNO2 and a molecular weight of 730.66 g/mol. Its IUPAC name is 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
PubChem CID58536218
Molecular FormulaC48H28BrNO2
Molecular Weight730.66 g/mol
Exact Mass729.13
IUPAC Name9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C48H28BrNO2/c49-33-21-15-29(16-22-33)30-17-23-34(24-18-30)50-43-25-19-31(35-9-5-11-39-37-7-1-3-13-45(37)51-47(35)39)27-41(43)42-28-32(20-26-44(42)50)36-10-6-12-40-38-8-2-4-14-46(38)52-48(36)40/h1-28H
InChIKeyBYYSCOJSIKRZMY-UHFFFAOYSA-N
XLogP14.35
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.66
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole?
The IUPAC name of 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole (CID 58536218) is 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole is Brc1ccc(-c2ccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole?
The InChIKey is BYYSCOJSIKRZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28BrNO2/c49-33-21-15-29(16-22-33)30-17-23-34(24-18-30)50-43-25-19-31(35-9-5-11-39-37-7-1-3-13-45(37)51-47(35)39)27-41(43)42-28-32(20-26-44(42)50)36-10-6-12-40-38-8-2-4-14-46(38)52-48(36)40/h1-28H.
What are the key properties of 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole?
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole has a molecular weight of 730.66 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole is sourced from PubChem (CID 58536218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).