5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole

C39H27NO — CID 90191504

IUPAC5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C39H27NO/c1-39(2)32-15-6-3-10-27(32)29-22-23-34-36(37(29)39)31-12-4-7-16-33(31)40(34)25-20-18-24(19-21-25)26-13-9-14-30-28-11-5-8-17-35(28)41-38(26)30/h3-23H,1-2H3
InChIKeyHSPIAWRIZXLXOF-UHFFFAOYSA-N
MW525.65 g/mol
LogP10.66
Rot. Bonds2

About 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole

5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 90191504) has the molecular formula C39H27NO and a molecular weight of 525.65 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID90191504
Molecular FormulaC39H27NO
Molecular Weight525.65 g/mol
Exact Mass525.21
IUPAC Name5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C39H27NO/c1-39(2)32-15-6-3-10-27(32)29-22-23-34-36(37(29)39)31-12-4-7-16-33(31)40(34)25-20-18-24(19-21-25)26-13-9-14-30-28-11-5-8-17-35(28)41-38(26)30/h3-23H,1-2H3
InChIKeyHSPIAWRIZXLXOF-UHFFFAOYSA-N
XLogP10.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118153947
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole (CID 90191504) is 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is HSPIAWRIZXLXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO/c1-39(2)32-15-6-3-10-27(32)29-22-23-34-36(37(29)39)31-12-4-7-16-33(31)40(34)25-20-18-24(19-21-25)26-13-9-14-30-28-11-5-8-17-35(28)41-38(26)30/h3-23H,1-2H3.
What are the key properties of 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole?
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 525.65 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 90191504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).