9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole

C62H36N2S2 — CID 59220642

IUPAC9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole
SMILESc1ccc2c(c1)sc1cccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc5sc6ccccc6c45)c4ccc(-n5c6ccccc6c6ccccc65)cc34)c12
InChIInChI=1S/C62H36N2S2/c1-7-23-51-39(15-1)40-16-2-8-24-52(40)63(51)37-31-33-43-49(35-37)59(47-21-13-29-57-61(47)45-19-5-11-27-55(45)65-57)44-34-32-38(64-53-25-9-3-17-41(53)42-18-4-10-26-54(42)64)36-50(44)60(43)48-22-14-30-58-62(48)46-20-6-12-28-56(46)66-58/h1-36H
InChIKeyZOPKXBJBMVRLMF-UHFFFAOYSA-N
MW873.12 g/mol
LogP18.26
Rot. Bonds4

About 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole

9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole (PubChem CID 59220642) has the molecular formula C62H36N2S2 and a molecular weight of 873.12 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole
PubChem CID59220642
Molecular FormulaC62H36N2S2
Molecular Weight873.12 g/mol
Exact Mass872.23
IUPAC Name9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole
SMILESc1ccc2c(c1)sc1cccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc5sc6ccccc6c45)c4ccc(-n5c6ccccc6c6ccccc65)cc34)c12
InChIInChI=1S/C62H36N2S2/c1-7-23-51-39(15-1)40-16-2-8-24-52(40)63(51)37-31-33-43-49(35-37)59(47-21-13-29-57-61(47)45-19-5-11-27-55(45)65-57)44-34-32-38(64-53-25-9-3-17-41(53)42-18-4-10-26-54(42)64)36-50(44)60(43)48-22-14-30-58-62(48)46-20-6-12-28-56(46)66-58/h1-36H
InChIKeyZOPKXBJBMVRLMF-UHFFFAOYSA-N
XLogP18.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.12
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole (CID 59220642) is 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole is c1ccc2c(c1)sc1cccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc5sc6ccccc6c45)c4ccc(-n5c6ccccc6c6ccccc65)cc34)c12.
What is the InChIKey of 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole?
The InChIKey is ZOPKXBJBMVRLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N2S2/c1-7-23-51-39(15-1)40-16-2-8-24-52(40)63(51)37-31-33-43-49(35-37)59(47-21-13-29-57-61(47)45-19-5-11-27-55(45)65-57)44-34-32-38(64-53-25-9-3-17-41(53)42-18-4-10-26-54(42)64)36-50(44)60(43)48-22-14-30-58-62(48)46-20-6-12-28-56(46)66-58/h1-36H.
What are the key properties of 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole?
9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole has a molecular weight of 873.12 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-9,10-di(dibenzothiophen-1-yl)anthracen-2-yl]carbazole is sourced from PubChem (CID 59220642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).