6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole

C58H38N2S — CID 174334636

IUPAC6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-c3nc4ccc(-c5cccc(-c6ccc7ccccc7c6-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)c5)cc4s3)c2)cc1
InChIInChI=1S/C58H38N2S/c1-4-14-39(15-5-1)45-21-13-24-49(35-45)58-60-53-33-31-47(38-56(53)61-58)46-22-12-23-48(34-46)52-32-30-41-16-10-11-25-51(41)57(52)44-28-26-40(27-29-44)50-36-54(42-17-6-2-7-18-42)59-55(37-50)43-19-8-3-9-20-43/h1-38H
InChIKeyKUHNCRQSMUPSBL-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.18
Rot. Bonds8

About 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole

6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole (PubChem CID 174334636) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole
PubChem CID174334636
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC Name6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole
SMILESc1ccc(-c2cccc(-c3nc4ccc(-c5cccc(-c6ccc7ccccc7c6-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)c5)cc4s3)c2)cc1
InChIInChI=1S/C58H38N2S/c1-4-14-39(15-5-1)45-21-13-24-49(35-45)58-60-53-33-31-47(38-56(53)61-58)46-22-12-23-48(34-46)52-32-30-41-16-10-11-25-51(41)57(52)44-28-26-40(27-29-44)50-36-54(42-17-6-2-7-18-42)59-55(37-50)43-19-8-3-9-20-43/h1-38H
InChIKeyKUHNCRQSMUPSBL-UHFFFAOYSA-N
XLogP16.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.02
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole with MolForge

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Related Compounds

2-(3,5-dimethylphenyl)-5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]benzo[g][1,3]benzothiazole
CID 174334851
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-phenyl-6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-1,3-benzothiazole
CID 170681628
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 147316036
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 153310133
2-phenyl-6-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzothiazole
CID 148990135
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
2-[4-[10-(3,5-diphenylphenyl)-9-phenylanthracen-2-yl]phenyl]-1,3-benzothiazole
CID 129257154
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole?
The IUPAC name of 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole (CID 174334636) is 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole is c1ccc(-c2cccc(-c3nc4ccc(-c5cccc(-c6ccc7ccccc7c6-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)c5)cc4s3)c2)cc1.
What is the InChIKey of 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole?
The InChIKey is KUHNCRQSMUPSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-4-14-39(15-5-1)45-21-13-24-49(35-45)58-60-53-33-31-47(38-56(53)61-58)46-22-12-23-48(34-46)52-32-30-41-16-10-11-25-51(41)57(52)44-28-26-40(27-29-44)50-36-54(42-17-6-2-7-18-42)59-55(37-50)43-19-8-3-9-20-43/h1-38H.
What are the key properties of 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole?
6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole has a molecular weight of 795.02 g/mol, XLogP of 16.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 174334636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).