3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole

C55H34N2OS2 — CID 71004844

IUPAC3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole
SMILESCOc1cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1
InChIInChI=1S/C55H34N2OS2/c1-58-37-31-35(56-48-20-6-2-12-40(48)46-28-33(24-26-50(46)56)38-16-10-18-44-42-14-4-8-22-52(42)59-54(38)44)30-36(32-37)57-49-21-7-3-13-41(49)47-29-34(25-27-51(47)57)39-17-11-19-45-43-15-5-9-23-53(43)60-55(39)45/h2-32H,1H3
InChIKeyRHKHWUZDJOWLMN-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.96
Rot. Bonds5

About 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole

3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole (PubChem CID 71004844) has the molecular formula C55H34N2OS2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole
PubChem CID71004844
Molecular FormulaC55H34N2OS2
Molecular Weight803.02 g/mol
Exact Mass802.21
IUPAC Name3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole
SMILESCOc1cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1
InChIInChI=1S/C55H34N2OS2/c1-58-37-31-35(56-48-20-6-2-12-40(48)46-28-33(24-26-50(46)56)38-16-10-18-44-42-14-4-8-22-52(42)59-54(38)44)30-36(32-37)57-49-21-7-3-13-41(49)47-29-34(25-27-51(47)57)39-17-11-19-45-43-15-5-9-23-53(43)60-55(39)45/h2-32H,1H3
InChIKeyRHKHWUZDJOWLMN-UHFFFAOYSA-N
XLogP15.96
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole (CID 71004844) is 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole is COc1cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole?
The InChIKey is RHKHWUZDJOWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2OS2/c1-58-37-31-35(56-48-20-6-2-12-40(48)46-28-33(24-26-50(46)56)38-16-10-18-44-42-14-4-8-22-52(42)59-54(38)44)30-36(32-37)57-49-21-7-3-13-41(49)47-29-34(25-27-51(47)57)39-17-11-19-45-43-15-5-9-23-53(43)60-55(39)45/h2-32H,1H3.
What are the key properties of 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole?
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole has a molecular weight of 803.02 g/mol, XLogP of 15.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-methoxyphenyl]carbazole is sourced from PubChem (CID 71004844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).