3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole

C54H33BrN2O — CID 118289106

IUPAC3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole
SMILESBrc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c1
InChIInChI=1S/C54H33BrN2O/c55-39-13-10-12-34(31-39)36-28-37(30-38(29-36)42-19-11-22-51-54(42)45-18-5-8-21-49(45)56(51)40-14-2-1-3-15-40)35-24-26-50-46(32-35)43-16-4-7-20-48(43)57(50)41-25-27-53-47(33-41)44-17-6-9-23-52(44)58-53/h1-33H
InChIKeyHTROXZFWZYJHTG-UHFFFAOYSA-N
MW805.78 g/mol
LogP15.54
Rot. Bonds5

About 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole

3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole (PubChem CID 118289106) has the molecular formula C54H33BrN2O and a molecular weight of 805.78 g/mol. Its IUPAC name is 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole
PubChem CID118289106
Molecular FormulaC54H33BrN2O
Molecular Weight805.78 g/mol
Exact Mass804.18
IUPAC Name3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole
SMILESBrc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c1
InChIInChI=1S/C54H33BrN2O/c55-39-13-10-12-34(31-39)36-28-37(30-38(29-36)42-19-11-22-51-54(42)45-18-5-8-21-49(45)56(51)40-14-2-1-3-15-40)35-24-26-50-46(32-35)43-16-4-7-20-48(43)57(50)41-25-27-53-47(33-41)44-17-6-9-23-52(44)58-53/h1-33H
InChIKeyHTROXZFWZYJHTG-UHFFFAOYSA-N
XLogP15.54
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.78
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole (CID 118289106) is 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole is Brc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c1.
What is the InChIKey of 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole?
The InChIKey is HTROXZFWZYJHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33BrN2O/c55-39-13-10-12-34(31-39)36-28-37(30-38(29-36)42-19-11-22-51-54(42)45-18-5-8-21-49(45)56(51)40-14-2-1-3-15-40)35-24-26-50-46(32-35)43-16-4-7-20-48(43)57(50)41-25-27-53-47(33-41)44-17-6-9-23-52(44)58-53/h1-33H.
What are the key properties of 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole?
3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole has a molecular weight of 805.78 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 118289106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).