2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine

C37H23NS — CID 142353643

IUPAC2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5sc6ccccc6c45)nc3)c3ccccc23)cc1
InChIInChI=1S/C37H23NS/c1-2-11-24(12-3-1)35-26-13-4-6-15-28(26)36(29-16-7-5-14-27(29)35)25-21-22-32(38-23-25)30-18-10-20-34-37(30)31-17-8-9-19-33(31)39-34/h1-23H
InChIKeyATJFLIWNPDDFCO-UHFFFAOYSA-N
MW513.67 g/mol
LogP10.76
Rot. Bonds3

About 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine

2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine (PubChem CID 142353643) has the molecular formula C37H23NS and a molecular weight of 513.67 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
PubChem CID142353643
Molecular FormulaC37H23NS
Molecular Weight513.67 g/mol
Exact Mass513.16
IUPAC Name2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5sc6ccccc6c45)nc3)c3ccccc23)cc1
InChIInChI=1S/C37H23NS/c1-2-11-24(12-3-1)35-26-13-4-6-15-28(26)36(29-16-7-5-14-27(29)35)25-21-22-32(38-23-25)30-18-10-20-34-37(30)31-17-8-9-19-33(31)39-34/h1-23H
InChIKeyATJFLIWNPDDFCO-UHFFFAOYSA-N
XLogP10.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.67
LogP ≤ 510.76
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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Related Compounds

1-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-b][1]benzothiole
CID 166872383
2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 146933343
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225
1-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 174292374
1-phenyldibenzothiophene;hydrobromide
CID 174679709
2-(9,9-dimethylfluoren-1-yl)-5-(10-phenylanthracen-9-yl)pyridine
CID 134531010
5-naphtho[2,1-b][1]benzothiol-8-yl-2-(10-phenylanthracen-9-yl)pyridine;5-naphtho[2,3-b][1]benzothiol-1-yl-2-(10-phenylanthracen-9-yl)pyridine;5-(4-naphtho[2,3-b][1]benzothiol-2-ylphenyl)-2-(10-phenylanthracen-9-yl)pyridine
CID 158872561
1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 157269152
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
6-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426392
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
The IUPAC name of 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine (CID 142353643) is 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
The canonical SMILES for 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5sc6ccccc6c45)nc3)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
The InChIKey is ATJFLIWNPDDFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NS/c1-2-11-24(12-3-1)35-26-13-4-6-15-28(26)36(29-16-7-5-14-27(29)35)25-21-22-32(38-23-25)30-18-10-20-34-37(30)31-17-8-9-19-33(31)39-34/h1-23H.
What are the key properties of 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine has a molecular weight of 513.67 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine is sourced from PubChem (CID 142353643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).