8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

C51H34N2O — CID 134223350

IUPAC8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccc(-c2ccc4c(c2)c2cc5oc6ccccc6c5cc2n4-c2ccccc2)cc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)38-28-47-40(27-44(38)51)36-23-21-32(26-46(36)53(47)34-15-7-4-8-16-34)31-22-24-45-39(25-31)41-30-50-42(37-18-10-12-20-49(37)54-50)29-48(41)52(45)33-13-5-3-6-14-33/h3-30H,1-2H3
InChIKeyROMCEBMWXDMKNI-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

About 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223350) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID134223350
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccc(-c2ccc4c(c2)c2cc5oc6ccccc6c5cc2n4-c2ccccc2)cc1n3-c1ccccc1
InChIInChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)38-28-47-40(27-44(38)51)36-23-21-32(26-46(36)53(47)34-15-7-4-8-16-34)31-22-24-45-39(25-31)41-30-50-42(37-18-10-12-20-49(37)54-50)29-48(41)52(45)33-13-5-3-6-14-33/h3-30H,1-2H3
InChIKeyROMCEBMWXDMKNI-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
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
5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632768
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 168768795
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
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

Frequently Asked Questions

What is the IUPAC name of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 134223350) is 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccc(-c2ccc4c(c2)c2cc5oc6ccccc6c5cc2n4-c2ccccc2)cc1n3-c1ccccc1.
What is the InChIKey of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is ROMCEBMWXDMKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)43-19-11-9-17-35(43)38-28-47-40(27-44(38)51)36-23-21-32(26-46(36)53(47)34-15-7-4-8-16-34)31-22-24-45-39(25-31)41-30-50-42(37-18-10-12-20-49(37)54-50)29-48(41)52(45)33-13-5-3-6-14-33/h3-30H,1-2H3.
What are the key properties of 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 690.85 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).