3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole

C54H34N2OS — CID 71232549

IUPAC3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(Oc4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)ccc32)cc1
InChIInChI=1S/C54H34N2OS/c1-2-15-39(16-3-1)55-49-21-7-4-18-43(49)46-33-41(25-27-51(46)55)57-42-26-28-52-47(34-42)44-19-5-8-22-50(44)56(52)40-17-11-14-37(31-40)35-12-10-13-36(30-35)38-24-29-54-48(32-38)45-20-6-9-23-53(45)58-54/h1-34H
InChIKeyYJRJIYYPEYRCNB-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.38
Rot. Bonds6

About 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole

3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole (PubChem CID 71232549) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole
PubChem CID71232549
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(Oc4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)ccc32)cc1
InChIInChI=1S/C54H34N2OS/c1-2-15-39(16-3-1)55-49-21-7-4-18-43(49)46-33-41(25-27-51(46)55)57-42-26-28-52-47(34-42)44-19-5-8-22-50(44)56(52)40-17-11-14-37(31-40)35-12-10-13-36(30-35)38-24-29-54-48(32-38)45-20-6-9-23-53(45)58-54/h1-34H
InChIKeyYJRJIYYPEYRCNB-UHFFFAOYSA-N
XLogP15.38
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole (CID 71232549) is 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(Oc4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole?
The InChIKey is YJRJIYYPEYRCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-15-39(16-3-1)55-49-21-7-4-18-43(49)46-33-41(25-27-51(46)55)57-42-26-28-52-47(34-42)44-19-5-8-22-50(44)56(52)40-17-11-14-37(31-40)35-12-10-13-36(30-35)38-24-29-54-48(32-38)45-20-6-9-23-53(45)58-54/h1-34H.
What are the key properties of 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole?
3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole has a molecular weight of 758.95 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole is sourced from PubChem (CID 71232549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).