3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole

C60H36N2O2 — CID 121449361

IUPAC3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc32)cc1
InChIInChI=1S/C60H36N2O2/c1-2-14-41(15-3-1)61-53-24-7-4-17-45(53)50-34-37(27-30-54(50)61)38-28-31-55-51(35-38)52-36-40(44-21-12-23-49-47-19-6-9-26-58(47)64-60(44)49)29-32-56(52)62(55)42-16-10-13-39(33-42)43-20-11-22-48-46-18-5-8-25-57(46)63-59(43)48/h1-36H
InChIKeyPJLYYEDPKAWPBW-UHFFFAOYSA-N
MW816.96 g/mol
LogP16.68
Rot. Bonds5

About 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole

3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 121449361) has the molecular formula C60H36N2O2 and a molecular weight of 816.96 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID121449361
Molecular FormulaC60H36N2O2
Molecular Weight816.96 g/mol
Exact Mass816.28
IUPAC Name3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc32)cc1
InChIInChI=1S/C60H36N2O2/c1-2-14-41(15-3-1)61-53-24-7-4-17-45(53)50-34-37(27-30-54(50)61)38-28-31-55-51(35-38)52-36-40(44-21-12-23-49-47-19-6-9-26-58(47)64-60(44)49)29-32-56(52)62(55)42-16-10-13-39(33-42)43-20-11-22-48-46-18-5-8-25-57(46)63-59(43)48/h1-36H
InChIKeyPJLYYEDPKAWPBW-UHFFFAOYSA-N
XLogP16.68
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 158195291
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
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole (CID 121449361) is 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is PJLYYEDPKAWPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2/c1-2-14-41(15-3-1)61-53-24-7-4-17-45(53)50-34-37(27-30-54(50)61)38-28-31-55-51(35-38)52-36-40(44-21-12-23-49-47-19-6-9-26-58(47)64-60(44)49)29-32-56(52)62(55)42-16-10-13-39(33-42)43-20-11-22-48-46-18-5-8-25-57(46)63-59(43)48/h1-36H.
What are the key properties of 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 816.96 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 121449361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).