9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole

C57H39NO — CID 146647790

IUPAC9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-n2c4ccc(-c5ccccc5)cc4c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc42)cc13
InChIInChI=1S/C57H39NO/c1-57(2)51-21-13-12-20-45(51)46-34-50-49-33-44(24-27-55(49)59-56(50)35-52(46)57)58-53-25-22-39(36-14-6-3-7-15-36)31-47(53)48-32-40(23-26-54(48)58)43-29-41(37-16-8-4-9-17-37)28-42(30-43)38-18-10-5-11-19-38/h3-35H,1-2H3
InChIKeyHOMMDLBOWKFFCC-UHFFFAOYSA-N
MW753.95 g/mol
LogP15.66
Rot. Bonds5

About 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole

9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole (PubChem CID 146647790) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole.

Molecular Properties

Compound Name9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole
PubChem CID146647790
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC Name9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-n2c4ccc(-c5ccccc5)cc4c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc42)cc13
InChIInChI=1S/C57H39NO/c1-57(2)51-21-13-12-20-45(51)46-34-50-49-33-44(24-27-55(49)59-56(50)35-52(46)57)58-53-25-22-39(36-14-6-3-7-15-36)31-47(53)48-32-40(23-26-54(48)58)43-29-41(37-16-8-4-9-17-37)28-42(30-43)38-18-10-5-11-19-38/h3-35H,1-2H3
InChIKeyHOMMDLBOWKFFCC-UHFFFAOYSA-N
XLogP15.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
9-[3-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9,9-dimethylfluoren-2-yl]-5-phenylphenyl]carbazole
CID 71278034
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
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
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
5-(9,9-dimethylfluoren-2-yl)-9-phenyl-[1]benzofuro[3,2-c]carbazole
CID 129290125
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417

Frequently Asked Questions

What is the IUPAC name of 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole?
The IUPAC name of 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole (CID 146647790) is 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole.
What is the SMILES notation for 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole?
The canonical SMILES for 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-n2c4ccc(-c5ccccc5)cc4c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc42)cc13.
What is the InChIKey of 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole?
The InChIKey is HOMMDLBOWKFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)51-21-13-12-20-45(51)46-34-50-49-33-44(24-27-55(49)59-56(50)35-52(46)57)58-53-25-22-39(36-14-6-3-7-15-36)31-47(53)48-32-40(23-26-54(48)58)43-29-41(37-16-8-4-9-17-37)28-42(30-43)38-18-10-5-11-19-38/h3-35H,1-2H3.
What are the key properties of 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole?
9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole has a molecular weight of 753.95 g/mol, XLogP of 15.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole is sourced from PubChem (CID 146647790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).