2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole

C51H33NS — CID 129257154

IUPAC2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc34)c2)cc1
InChIInChI=1S/C51H33NS/c1-4-14-34(15-5-1)40-30-41(35-16-6-2-7-17-35)32-42(31-40)50-44-21-11-10-20-43(44)49(37-18-8-3-9-19-37)46-33-39(28-29-45(46)50)36-24-26-38(27-25-36)51-52-47-22-12-13-23-48(47)53-51/h1-33H
InChIKeyWXBNIUICXMSGJP-UHFFFAOYSA-N
MW691.90 g/mol
LogP14.60
Rot. Bonds6

About 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole

2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole (PubChem CID 129257154) has the molecular formula C51H33NS and a molecular weight of 691.90 g/mol. Its IUPAC name is 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
PubChem CID129257154
Molecular FormulaC51H33NS
Molecular Weight691.90 g/mol
Exact Mass691.23
IUPAC Name2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc34)c2)cc1
InChIInChI=1S/C51H33NS/c1-4-14-34(15-5-1)40-30-41(35-16-6-2-7-17-35)32-42(31-40)50-44-21-11-10-20-43(44)49(37-18-8-3-9-19-37)46-33-39(28-29-45(46)50)36-24-26-38(27-25-36)51-52-47-22-12-13-23-48(47)53-51/h1-33H
InChIKeyWXBNIUICXMSGJP-UHFFFAOYSA-N
XLogP14.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.90
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
2-(6-bromo-9,10-diphenylanthracen-2-yl)-1,3-benzothiazole
CID 142722326
[9,10-bis[4-(1,3-benzothiazol-2-yl)phenyl]anthracen-2-yl]-trimethyl-λ4-sulfane
CID 145482244
2-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]-1,3-benzothiazole
CID 58411825
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[3-(1,10-phenanthrolin-5-yl)-5-(10-phenylanthracen-9-yl)phenyl]-1,3-benzothiazole
CID 58480026
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole (CID 129257154) is 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6nc7ccccc7s6)cc5)ccc34)c2)cc1.
What is the InChIKey of 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole?
The InChIKey is WXBNIUICXMSGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NS/c1-4-14-34(15-5-1)40-30-41(35-16-6-2-7-17-35)32-42(31-40)50-44-21-11-10-20-43(44)49(37-18-8-3-9-19-37)46-33-39(28-29-45(46)50)36-24-26-38(27-25-36)51-52-47-22-12-13-23-48(47)53-51/h1-33H.
What are the key properties of 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole?
2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole has a molecular weight of 691.90 g/mol, XLogP of 14.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 129257154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).