2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene

C58H34S2 — CID 153438373

IUPAC2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
SMILESc1cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)c1
InChIInChI=1S/C58H34S2/c1-5-22-45-41(18-1)55(42-19-2-6-23-46(42)57(45)37-28-30-53-49(33-37)39-16-9-11-26-51(39)59-53)35-14-13-15-36(32-35)56-43-20-3-7-24-47(43)58(48-25-8-4-21-44(48)56)38-29-31-54-50(34-38)40-17-10-12-27-52(40)60-54/h1-34H
InChIKeyGFHNLOXJBDGRRJ-UHFFFAOYSA-N
MW795.04 g/mol
LogP17.70
Rot. Bonds4

About 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene

2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene (PubChem CID 153438373) has the molecular formula C58H34S2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
PubChem CID153438373
Molecular FormulaC58H34S2
Molecular Weight795.04 g/mol
Exact Mass794.21
IUPAC Name2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
SMILESc1cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)c1
InChIInChI=1S/C58H34S2/c1-5-22-45-41(18-1)55(42-19-2-6-23-46(42)57(45)37-28-30-53-49(33-37)39-16-9-11-26-51(39)59-53)35-14-13-15-36(32-35)56-43-20-3-7-24-47(43)58(48-25-8-4-21-44(48)56)38-29-31-54-50(34-38)40-17-10-12-27-52(40)60-54/h1-34H
InChIKeyGFHNLOXJBDGRRJ-UHFFFAOYSA-N
XLogP17.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene?
The IUPAC name of 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene (CID 153438373) is 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene?
The canonical SMILES for 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene is c1cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc23)c1.
What is the InChIKey of 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene?
The InChIKey is GFHNLOXJBDGRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34S2/c1-5-22-45-41(18-1)55(42-19-2-6-23-46(42)57(45)37-28-30-53-49(33-37)39-16-9-11-26-51(39)59-53)35-14-13-15-36(32-35)56-43-20-3-7-24-47(43)58(48-25-8-4-21-44(48)56)38-29-31-54-50(34-38)40-17-10-12-27-52(40)60-54/h1-34H.
What are the key properties of 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene?
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene has a molecular weight of 795.04 g/mol, XLogP of 17.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 153438373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).