5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole

C57H37N3S — CID 118335098

IUPAC5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4sc4c(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cccc45)c3cc21
InChIInChI=1S/C57H37N3S/c1-57(2)45-22-8-3-15-35(45)43-32-44-39-19-7-12-26-50(39)60(54(44)33-46(43)57)52-28-14-21-42-41-20-13-27-51(55(41)61-56(42)52)59-49-25-11-6-18-38(49)40-30-29-34(31-53(40)59)58-47-23-9-4-16-36(47)37-17-5-10-24-48(37)58/h3-33H,1-2H3
InChIKeyUEAYHXYSGZOKHC-UHFFFAOYSA-N
MW796.01 g/mol
LogP15.65
Rot. Bonds3

About 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 118335098) has the molecular formula C57H37N3S and a molecular weight of 796.01 g/mol. Its IUPAC name is 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID118335098
Molecular FormulaC57H37N3S
Molecular Weight796.01 g/mol
Exact Mass795.27
IUPAC Name5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4sc4c(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cccc45)c3cc21
InChIInChI=1S/C57H37N3S/c1-57(2)45-22-8-3-15-35(45)43-32-44-39-19-7-12-26-50(39)60(54(44)33-46(43)57)52-28-14-21-42-41-20-13-27-51(55(41)61-56(42)52)59-49-25-11-6-18-38(49)40-30-29-34(31-53(40)59)58-47-23-9-4-16-36(47)37-17-5-10-24-48(37)58/h3-33H,1-2H3
InChIKeyUEAYHXYSGZOKHC-UHFFFAOYSA-N
XLogP15.65
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 146533076
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 118335098) is 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc5c4sc4c(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cccc45)c3cc21.
What is the InChIKey of 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is UEAYHXYSGZOKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3S/c1-57(2)45-22-8-3-15-35(45)43-32-44-39-19-7-12-26-50(39)60(54(44)33-46(43)57)52-28-14-21-42-41-20-13-27-51(55(41)61-56(42)52)59-49-25-11-6-18-38(49)40-30-29-34(31-53(40)59)58-47-23-9-4-16-36(47)37-17-5-10-24-48(37)58/h3-33H,1-2H3.
What are the key properties of 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 796.01 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 118335098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).