3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

C54H39NO — CID 118099158

IUPAC3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5c(ccc7c5oc5ccccc57)C6(C)C)ccc3n4-c3ccccc3)cc21
InChIInChI=1S/C54H39NO/c1-53(2)45-24-19-32(30-43(45)51-46(53)25-23-40-39-15-9-11-17-50(39)56-52(40)51)33-20-26-48-41(28-33)42-29-34(21-27-49(42)55(48)36-12-6-5-7-13-36)35-18-22-38-37-14-8-10-16-44(37)54(3,4)47(38)31-35/h5-31H,1-4H3
InChIKeyCPNKDXFLZNSBGO-UHFFFAOYSA-N
MW717.91 g/mol
LogP14.63
Rot. Bonds3

About 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 118099158) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
PubChem CID118099158
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC Name3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5c(ccc7c5oc5ccccc57)C6(C)C)ccc3n4-c3ccccc3)cc21
InChIInChI=1S/C54H39NO/c1-53(2)45-24-19-32(30-43(45)51-46(53)25-23-40-39-15-9-11-17-50(39)56-52(40)51)33-20-26-48-41(28-33)42-29-34(21-27-49(42)55(48)36-12-6-5-7-13-36)35-18-22-38-37-14-8-10-16-44(37)54(3,4)47(38)31-35/h5-31H,1-4H3
InChIKeyCPNKDXFLZNSBGO-UHFFFAOYSA-N
XLogP14.63
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 158774587
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
9-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 157191783

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (CID 118099158) is 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5c(ccc7c5oc5ccccc57)C6(C)C)ccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is CPNKDXFLZNSBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-53(2)45-24-19-32(30-43(45)51-46(53)25-23-40-39-15-9-11-17-50(39)56-52(40)51)33-20-26-48-41(28-33)42-29-34(21-27-49(42)55(48)36-12-6-5-7-13-36)35-18-22-38-37-14-8-10-16-44(37)54(3,4)47(38)31-35/h5-31H,1-4H3.
What are the key properties of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole has a molecular weight of 717.91 g/mol, XLogP of 14.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 118099158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).