2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole

C29H19NS — CID 134471955

IUPAC2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole
SMILESc1ccc(-c2ccc3c(-c4nccs4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C29H19NS/c1-3-9-20(10-4-1)22-15-16-25-26(19-22)27(21-11-5-2-6-12-21)23-13-7-8-14-24(23)28(25)29-30-17-18-31-29/h1-19H
InChIKeyIRNIQHXLCGSZKK-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.45
Rot. Bonds3

About 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole

2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole (PubChem CID 134471955) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole
PubChem CID134471955
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole
SMILESc1ccc(-c2ccc3c(-c4nccs4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C29H19NS/c1-3-9-20(10-4-1)22-15-16-25-26(19-22)27(21-11-5-2-6-12-21)23-13-7-8-14-24(23)28(25)29-30-17-18-31-29/h1-19H
InChIKeyIRNIQHXLCGSZKK-UHFFFAOYSA-N
XLogP8.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.45
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-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-[5-[2-naphthalen-2-yl-10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
CID 121297736
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
2-(2,5-diphenylphenyl)-1,3-thiazole
CID 71205549

Frequently Asked Questions

What is the IUPAC name of 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole?
The IUPAC name of 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole (CID 134471955) is 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole?
The canonical SMILES for 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole is c1ccc(-c2ccc3c(-c4nccs4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole?
The InChIKey is IRNIQHXLCGSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-3-9-20(10-4-1)22-15-16-25-26(19-22)27(21-11-5-2-6-12-21)23-13-7-8-14-24(23)28(25)29-30-17-18-31-29/h1-19H.
What are the key properties of 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole?
2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole has a molecular weight of 413.55 g/mol, XLogP of 8.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole is sourced from PubChem (CID 134471955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).