4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C72H45BrN2O2 — CID 158714965

IUPAC4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O.C18H11BrO/c1-2-11-35(12-3-1)36-21-27-40(28-22-36)55-49-18-7-4-13-43(49)47-33-38(25-31-51(47)55)39-26-32-52-48(34-39)44-14-5-8-19-50(44)56(52)41-29-23-37(24-30-41)42-16-10-17-46-45-15-6-9-20-53(45)57-54(42)46;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-34H;1-11H
InChIKeyIJEUEWSHZHLQIR-UHFFFAOYSA-N
MW1050.07 g/mol
LogP20.80
Rot. Bonds6

About 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 158714965) has the molecular formula C72H45BrN2O2 and a molecular weight of 1050.07 g/mol. Its IUPAC name is 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID158714965
Molecular FormulaC72H45BrN2O2
Molecular Weight1050.07 g/mol
Exact Mass1048.27
IUPAC Name4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O.C18H11BrO/c1-2-11-35(12-3-1)36-21-27-40(28-22-36)55-49-18-7-4-13-43(49)47-33-38(25-31-51(47)55)39-26-32-52-48(34-39)44-14-5-8-19-50(44)56(52)41-29-23-37(24-30-41)42-16-10-17-46-45-15-6-9-20-53(45)57-54(42)46;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-34H;1-11H
InChIKeyIJEUEWSHZHLQIR-UHFFFAOYSA-N
XLogP20.80
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.07
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
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
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
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
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
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 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 158714965) is 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is Brc1ccc(-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is IJEUEWSHZHLQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O.C18H11BrO/c1-2-11-35(12-3-1)36-21-27-40(28-22-36)55-49-18-7-4-13-43(49)47-33-38(25-31-51(47)55)39-26-32-52-48(34-39)44-14-5-8-19-50(44)56(52)41-29-23-37(24-30-41)42-16-10-17-46-45-15-6-9-20-53(45)57-54(42)46;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h1-34H;1-11H.
What are the key properties of 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 1050.07 g/mol, XLogP of 20.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 158714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).