5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine

C43H27NS — CID 153187941

IUPAC5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7ccccc7c6c5)cn4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H27NS/c1-2-10-28(11-3-1)29-18-20-30(21-19-29)42-34-13-4-6-15-36(34)43(37-16-7-5-14-35(37)42)39-24-22-32(27-44-39)31-23-25-41-38(26-31)33-12-8-9-17-40(33)45-41/h1-27H
InChIKeyWHLIHKATYKLWLR-UHFFFAOYSA-N
MW589.76 g/mol
LogP12.42
Rot. Bonds4

About 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine

5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (PubChem CID 153187941) has the molecular formula C43H27NS and a molecular weight of 589.76 g/mol. Its IUPAC name is 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
PubChem CID153187941
Molecular FormulaC43H27NS
Molecular Weight589.76 g/mol
Exact Mass589.19
IUPAC Name5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7ccccc7c6c5)cn4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H27NS/c1-2-10-28(11-3-1)29-18-20-30(21-19-29)42-34-13-4-6-15-36(34)43(37-16-7-5-14-35(37)42)39-24-22-32(27-44-39)31-23-25-41-38(26-31)33-12-8-9-17-40(33)45-41/h1-27H
InChIKeyWHLIHKATYKLWLR-UHFFFAOYSA-N
XLogP12.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 512.42
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

2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
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
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-naphtho[2,1-b][1]benzothiol-10-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 146933343
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353643
2-naphtho[2,3-b][1]benzothiol-3-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353458
3-(4-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410089
2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397435
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The IUPAC name of 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (CID 153187941) is 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The canonical SMILES for 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7ccccc7c6c5)cn4)c4ccccc34)cc2)cc1.
What is the InChIKey of 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The InChIKey is WHLIHKATYKLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NS/c1-2-10-28(11-3-1)29-18-20-30(21-19-29)42-34-13-4-6-15-36(34)43(37-16-7-5-14-35(37)42)39-24-22-32(27-44-39)31-23-25-41-38(26-31)33-12-8-9-17-40(33)45-41/h1-27H.
What are the key properties of 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine has a molecular weight of 589.76 g/mol, XLogP of 12.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 153187941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).