3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

C60H46N2OS — CID 71232546

IUPAC3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C60H46N2OS/c1-35-26-37(3)59(38(4)27-35)41-16-21-53-48(30-41)50-33-45(19-23-55(50)61(53)43-12-8-7-9-13-43)63-46-20-24-56-51(34-46)49-31-42(60-39(5)28-36(2)29-40(60)6)17-22-54(49)62(56)44-18-25-58-52(32-44)47-14-10-11-15-57(47)64-58/h7-34H,1-6H3
InChIKeyBLMFFHFKXMEUHV-UHFFFAOYSA-N
MW843.11 g/mol
LogP17.23
Rot. Bonds6

About 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 71232546) has the molecular formula C60H46N2OS and a molecular weight of 843.11 g/mol. Its IUPAC name is 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
PubChem CID71232546
Molecular FormulaC60H46N2OS
Molecular Weight843.11 g/mol
Exact Mass842.33
IUPAC Name3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C60H46N2OS/c1-35-26-37(3)59(38(4)27-35)41-16-21-53-48(30-41)50-33-45(19-23-55(50)61(53)43-12-8-7-9-13-43)63-46-20-24-56-51(34-46)49-31-42(60-39(5)28-36(2)29-40(60)6)17-22-54(49)62(56)44-18-25-58-52(32-44)47-14-10-11-15-57(47)64-58/h7-34H,1-6H3
InChIKeyBLMFFHFKXMEUHV-UHFFFAOYSA-N
XLogP17.23
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.11
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(3-dibenzothiophen-2-ylphenyl)-6-phenylcarbazol-3-yl]oxy-6,9-diphenylcarbazole
CID 71232541
3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]oxy-9-phenylcarbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]oxy-9-dibenzothiophen-2-ylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)oxy-9-(3,5-diphenylphenyl)carbazole;3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]oxy-9-phenylcarbazole;3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole
CID 159639230
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
CID 71232829
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
CID 89393750
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005

Frequently Asked Questions

What is the IUPAC name of 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (CID 71232546) is 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)c(C)c1.
What is the InChIKey of 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is BLMFFHFKXMEUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2OS/c1-35-26-37(3)59(38(4)27-35)41-16-21-53-48(30-41)50-33-45(19-23-55(50)61(53)43-12-8-7-9-13-43)63-46-20-24-56-51(34-46)49-31-42(60-39(5)28-36(2)29-40(60)6)17-22-54(49)62(56)44-18-25-58-52(32-44)47-14-10-11-15-57(47)64-58/h7-34H,1-6H3.
What are the key properties of 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 843.11 g/mol, XLogP of 17.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-dibenzothiophen-2-yl-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 71232546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).