9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole

C42H26BrNO — CID 118402480

IUPAC9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C42H26BrNO/c43-32-21-16-27(17-22-32)28-18-23-33(24-19-28)44-39-10-3-1-6-35(39)38-26-31(20-25-40(38)44)29-12-14-30(15-13-29)34-8-5-9-37-36-7-2-4-11-41(36)45-42(34)37/h1-26H
InChIKeyUECWZJOFIROPTF-UHFFFAOYSA-N
MW640.58 g/mol
LogP12.45
Rot. Bonds4

About 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole

9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 118402480) has the molecular formula C42H26BrNO and a molecular weight of 640.58 g/mol. Its IUPAC name is 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
PubChem CID118402480
Molecular FormulaC42H26BrNO
Molecular Weight640.58 g/mol
Exact Mass639.12
IUPAC Name9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C42H26BrNO/c43-32-21-16-27(17-22-32)28-18-23-33(24-19-28)44-39-10-3-1-6-35(39)38-26-31(20-25-40(38)44)29-12-14-30(15-13-29)34-8-5-9-37-36-7-2-4-11-41(36)45-42(34)37/h1-26H
InChIKeyUECWZJOFIROPTF-UHFFFAOYSA-N
XLogP12.45
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.58
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
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-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621
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
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-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
9-(4-carbazol-9-ylphenyl)-14-phenyl-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;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-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;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole (CID 118402480) is 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole is Brc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is UECWZJOFIROPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26BrNO/c43-32-21-16-27(17-22-32)28-18-23-33(24-19-28)44-39-10-3-1-6-35(39)38-26-31(20-25-40(38)44)29-12-14-30(15-13-29)34-8-5-9-37-36-7-2-4-11-41(36)45-42(34)37/h1-26H.
What are the key properties of 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole?
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 640.58 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 118402480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).