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

C57H39N3S — CID 71232829

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)ccc54)ccc32)c(C)c1
InChIInChI=1S/C57H39N3S/c1-34-28-35(2)57(36(3)29-34)60-51-18-10-6-14-43(51)47-32-39(22-26-54(47)60)58-49-16-8-4-12-41(49)45-30-37(20-24-52(45)58)38-21-25-53-46(31-38)42-13-5-9-17-50(42)59(53)40-23-27-56-48(33-40)44-15-7-11-19-55(44)61-56/h4-33H,1-3H3
InChIKeyKLPVDTYEITVYJX-UHFFFAOYSA-N
MW798.03 g/mol
LogP15.94
Rot. Bonds4

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

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole (PubChem CID 71232829) has the molecular formula C57H39N3S and a molecular weight of 798.03 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
PubChem CID71232829
Molecular FormulaC57H39N3S
Molecular Weight798.03 g/mol
Exact Mass797.29
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)ccc54)ccc32)c(C)c1
InChIInChI=1S/C57H39N3S/c1-34-28-35(2)57(36(3)29-34)60-51-18-10-6-14-43(51)47-32-39(22-26-54(47)60)58-49-16-8-4-12-41(49)45-30-37(20-24-52(45)58)38-21-25-53-46(31-38)42-13-5-9-17-50(42)59(53)40-23-27-56-48(33-40)44-15-7-11-19-55(44)61-56/h4-33H,1-3H3
InChIKeyKLPVDTYEITVYJX-UHFFFAOYSA-N
XLogP15.94
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.03
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544
CID 144619443
CID 144619443
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232676
3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
CID 138715596
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole (CID 71232829) is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole is Cc1cc(C)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)ccc54)ccc32)c(C)c1.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole?
The InChIKey is KLPVDTYEITVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3S/c1-34-28-35(2)57(36(3)29-34)60-51-18-10-6-14-43(51)47-32-39(22-26-54(47)60)58-49-16-8-4-12-41(49)45-30-37(20-24-52(45)58)38-21-25-53-46(31-38)42-13-5-9-17-50(42)59(53)40-23-27-56-48(33-40)44-15-7-11-19-55(44)61-56/h4-33H,1-3H3.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole?
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole has a molecular weight of 798.03 g/mol, XLogP of 15.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 71232829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).