9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole

C54H32N2O2 — CID 58099745

IUPAC9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
SMILESc1cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C54H32N2O2/c1-5-22-47-39(14-1)40-15-2-6-23-48(40)56(47)36-27-29-52-46(32-36)44-21-11-18-37(54(44)58-52)33-12-9-13-35(30-33)55-49-24-7-3-16-41(49)45-31-34(26-28-50(45)55)38-19-10-20-43-42-17-4-8-25-51(42)57-53(38)43/h1-32H
InChIKeyVDGQRDUSJVLOFG-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole

9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole (PubChem CID 58099745) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
PubChem CID58099745
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
SMILESc1cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C54H32N2O2/c1-5-22-47-39(14-1)40-15-2-6-23-48(40)56(47)36-27-29-52-46(32-36)44-21-11-18-37(54(44)58-52)33-12-9-13-35(30-33)55-49-24-7-3-16-41(49)45-31-34(26-28-50(45)55)38-19-10-20-43-42-17-4-8-25-51(42)57-53(38)43/h1-32H
InChIKeyVDGQRDUSJVLOFG-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
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
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole (CID 58099745) is 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole is c1cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
The InChIKey is VDGQRDUSJVLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-5-22-47-39(14-1)40-15-2-6-23-48(40)56(47)36-27-29-52-46(32-36)44-21-11-18-37(54(44)58-52)33-12-9-13-35(30-33)55-49-24-7-3-16-41(49)45-31-34(26-28-50(45)55)38-19-10-20-43-42-17-4-8-25-51(42)57-53(38)43/h1-32H.
What are the key properties of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 58099745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).