11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole

C43H29NO — CID 140907221

IUPAC11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc2)cc13
InChIInChI=1S/C43H29NO/c1-43(2)37-13-7-5-11-31(37)34-24-36-35-23-28(18-22-40(35)45-41(36)25-38(34)43)26-15-19-29(20-16-26)44-39-14-8-6-12-32(39)33-21-17-27-9-3-4-10-30(27)42(33)44/h3-25H,1-2H3
InChIKeyHJXPHVNIFZUVMT-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.81
Rot. Bonds2

About 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole

11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole (PubChem CID 140907221) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole
PubChem CID140907221
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc2)cc13
InChIInChI=1S/C43H29NO/c1-43(2)37-13-7-5-11-31(37)34-24-36-35-23-28(18-22-40(35)45-41(36)25-38(34)43)26-15-19-29(20-16-26)44-39-14-8-6-12-32(39)33-21-17-27-9-3-4-10-30(27)42(33)44/h3-25H,1-2H3
InChIKeyHJXPHVNIFZUVMT-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

3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
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-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
9-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-3-(3,5-diphenylphenyl)-6-phenylcarbazole
CID 146647790
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
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761

Frequently Asked Questions

What is the IUPAC name of 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole?
The IUPAC name of 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole (CID 140907221) is 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole?
The canonical SMILES for 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc2)cc13.
What is the InChIKey of 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole?
The InChIKey is HJXPHVNIFZUVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c1-43(2)37-13-7-5-11-31(37)34-24-36-35-23-28(18-22-40(35)45-41(36)25-38(34)43)26-15-19-29(20-16-26)44-39-14-8-6-12-32(39)33-21-17-27-9-3-4-10-30(27)42(33)44/h3-25H,1-2H3.
What are the key properties of 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole?
11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole 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 11-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]benzo[a]carbazole is sourced from PubChem (CID 140907221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).