3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene

C63H45NO2 — CID 145108725

IUPAC3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)ccc1C
InChIInChI=1S/C56H37NO2.C7H8/c1-34-11-3-4-12-41(34)48-31-37(22-21-35(48)2)38-25-29-51-49(32-38)50-33-39(43-16-10-18-47-45-14-6-8-20-54(45)59-56(43)47)26-30-52(50)57(51)40-27-23-36(24-28-40)42-15-9-17-46-44-13-5-7-19-53(44)58-55(42)46;1-7-5-3-2-4-6-7/h3-33H,1-2H3;2-6H,1H3
InChIKeyWQMASXWEVNZZJM-UHFFFAOYSA-N
MW848.06 g/mol
LogP17.86
Rot. Bonds5

About 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene

3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene (PubChem CID 145108725) has the molecular formula C63H45NO2 and a molecular weight of 848.06 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene
PubChem CID145108725
Molecular FormulaC63H45NO2
Molecular Weight848.06 g/mol
Exact Mass847.35
IUPAC Name3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)ccc1C
InChIInChI=1S/C56H37NO2.C7H8/c1-34-11-3-4-12-41(34)48-31-37(22-21-35(48)2)38-25-29-51-49(32-38)50-33-39(43-16-10-18-47-45-14-6-8-20-54(45)59-56(43)47)26-30-52(50)57(51)40-27-23-36(24-28-40)42-15-9-17-46-44-13-5-7-19-53(44)58-55(42)46;1-7-5-3-2-4-6-7/h3-33H,1-2H3;2-6H,1H3
InChIKeyWQMASXWEVNZZJM-UHFFFAOYSA-N
XLogP17.86
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.06
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[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-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
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-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 90180761
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene?
The IUPAC name of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene (CID 145108725) is 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene is Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)ccc1C.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene?
The InChIKey is WQMASXWEVNZZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO2.C7H8/c1-34-11-3-4-12-41(34)48-31-37(22-21-35(48)2)38-25-29-51-49(32-38)50-33-39(43-16-10-18-47-45-14-6-8-20-54(45)59-56(43)47)26-30-52(50)57(51)40-27-23-36(24-28-40)42-15-9-17-46-44-13-5-7-19-53(44)58-55(42)46;1-7-5-3-2-4-6-7/h3-33H,1-2H3;2-6H,1H3.
What are the key properties of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene?
3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene has a molecular weight of 848.06 g/mol, XLogP of 17.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(4-dibenzofuran-4-ylphenyl)-6-[4-methyl-3-(2-methylphenyl)phenyl]carbazole;toluene is sourced from PubChem (CID 145108725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).