3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole

C57H37NO2 — CID 121449411

IUPAC3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C57H37NO2/c1-57(2)49-15-6-3-10-41(49)42-26-20-38(33-50(42)57)36-22-28-52-47(31-36)46-30-35(37-23-29-55-48(32-37)44-12-5-7-16-53(44)59-55)21-27-51(46)58(52)39-24-18-34(19-25-39)40-13-9-14-45-43-11-4-8-17-54(43)60-56(40)45/h3-33H,1-2H3
InChIKeyORQYBBPGBGKSSX-UHFFFAOYSA-N
MW767.93 g/mol
LogP15.89
Rot. Bonds4

About 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole (PubChem CID 121449411) has the molecular formula C57H37NO2 and a molecular weight of 767.93 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
PubChem CID121449411
Molecular FormulaC57H37NO2
Molecular Weight767.93 g/mol
Exact Mass767.28
IUPAC Name3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C57H37NO2/c1-57(2)49-15-6-3-10-41(49)42-26-20-38(33-50(42)57)36-22-28-52-47(31-36)46-30-35(37-23-29-55-48(32-37)44-12-5-7-16-53(44)59-55)21-27-51(46)58(52)39-24-18-34(19-25-39)40-13-9-14-45-43-11-4-8-17-54(43)60-56(40)45/h3-33H,1-2H3
InChIKeyORQYBBPGBGKSSX-UHFFFAOYSA-N
XLogP15.89
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
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
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-2-amine
CID 159153804

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole (CID 121449411) is 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole?
The InChIKey is ORQYBBPGBGKSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2/c1-57(2)49-15-6-3-10-41(49)42-26-20-38(33-50(42)57)36-22-28-52-47(31-36)46-30-35(37-23-29-55-48(32-37)44-12-5-7-16-53(44)59-55)21-27-51(46)58(52)39-24-18-34(19-25-39)40-13-9-14-45-43-11-4-8-17-54(43)60-56(40)45/h3-33H,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole?
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole has a molecular weight of 767.93 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 121449411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).