2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole

C54H34BrNO — CID 122666247

IUPAC2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESBrc1cc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C54H34BrNO/c55-42-32-40(37-23-21-35(22-24-37)36-25-27-38(28-26-36)46-17-10-18-50-49-16-7-9-20-53(49)57-54(46)50)31-41(33-42)45-14-5-4-13-44(45)39-29-30-48-47-15-6-8-19-51(47)56(52(48)34-39)43-11-2-1-3-12-43/h1-34H
InChIKeyMSCIHGHRBCIDQF-UHFFFAOYSA-N
MW792.78 g/mol
LogP15.78
Rot. Bonds6

About 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole

2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 122666247) has the molecular formula C54H34BrNO and a molecular weight of 792.78 g/mol. Its IUPAC name is 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID122666247
Molecular FormulaC54H34BrNO
Molecular Weight792.78 g/mol
Exact Mass791.18
IUPAC Name2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESBrc1cc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C54H34BrNO/c55-42-32-40(37-23-21-35(22-24-37)36-25-27-38(28-26-36)46-17-10-18-50-49-16-7-9-20-53(49)57-54(46)50)31-41(33-42)45-14-5-4-13-44(45)39-29-30-48-47-15-6-8-19-51(47)56(52(48)34-39)43-11-2-1-3-12-43/h1-34H
InChIKeyMSCIHGHRBCIDQF-UHFFFAOYSA-N
XLogP15.78
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.78
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 122666247) is 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole is Brc1cc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc(-c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.
What is the InChIKey of 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is MSCIHGHRBCIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34BrNO/c55-42-32-40(37-23-21-35(22-24-37)36-25-27-38(28-26-36)46-17-10-18-50-49-16-7-9-20-53(49)57-54(46)50)31-41(33-42)45-14-5-4-13-44(45)39-29-30-48-47-15-6-8-19-51(47)56(52(48)34-39)43-11-2-1-3-12-43/h1-34H.
What are the key properties of 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 792.78 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 122666247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).