3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole

C43H29NO — CID 140907331

IUPAC3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)cc13
InChIInChI=1S/C43H29NO/c1-43(2)37-13-7-5-11-31(37)33-24-36-35-23-29(17-20-41(35)45-42(36)25-38(33)43)28-16-19-40-34(22-28)32-12-6-8-14-39(32)44(40)30-18-15-26-9-3-4-10-27(26)21-30/h3-25H,1-2H3
InChIKeyDMLBVRSHDSMLDZ-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.81
Rot. Bonds2

About 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole

3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole (PubChem CID 140907331) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
PubChem CID140907331
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)cc13
InChIInChI=1S/C43H29NO/c1-43(2)37-13-7-5-11-31(37)33-24-36-35-23-29(17-20-41(35)45-42(36)25-38(33)43)28-16-19-40-34(22-28)32-12-6-8-14-39(32)44(40)30-18-15-26-9-3-4-10-27(26)21-30/h3-25H,1-2H3
InChIKeyDMLBVRSHDSMLDZ-UHFFFAOYSA-N
XLogP11.81
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632822
11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole
CID 140907221
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole
CID 146647790
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
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
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632809
2-[5-(9,9-dimethylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[7,7-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159407034
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-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole (CID 140907331) is 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)cc13.
What is the InChIKey of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole?
The InChIKey is DMLBVRSHDSMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c1-43(2)37-13-7-5-11-31(37)33-24-36-35-23-29(17-20-41(35)45-42(36)25-38(33)43)28-16-19-40-34(22-28)32-12-6-8-14-39(32)44(40)30-18-15-26-9-3-4-10-27(26)21-30/h3-25H,1-2H3.
What are the key properties of 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole?
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole has a molecular weight of 575.71 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 140907331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).