2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole

C38H24S2 — CID 102170706

IUPAC2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
SMILESc1ccc(-c2cc3c(s2)c(-c2ccccc2)c(-c2ccccc2)c2sc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C38H24S2/c1-4-13-26(14-5-1)33-23-31-32-24-34(30-21-20-25-12-10-11-19-29(25)22-30)40-38(32)36(28-17-8-3-9-18-28)35(37(31)39-33)27-15-6-2-7-16-27/h1-24H
InChIKeyZAMFHJDTJPGVGF-UHFFFAOYSA-N
MW544.74 g/mol
LogP11.94
Rot. Bonds4

About 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole

2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole (PubChem CID 102170706) has the molecular formula C38H24S2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
PubChem CID102170706
Molecular FormulaC38H24S2
Molecular Weight544.74 g/mol
Exact Mass544.13
IUPAC Name2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
SMILESc1ccc(-c2cc3c(s2)c(-c2ccccc2)c(-c2ccccc2)c2sc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C38H24S2/c1-4-13-26(14-5-1)33-23-31-32-24-34(30-21-20-25-12-10-11-19-29(25)22-30)40-38(32)36(28-17-8-3-9-18-28)35(37(31)39-33)27-15-6-2-7-16-27/h1-24H
InChIKeyZAMFHJDTJPGVGF-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134595214
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline
CID 164744627
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 164744905
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165042446
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole?
The IUPAC name of 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole (CID 102170706) is 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole.
What is the SMILES notation for 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole?
The canonical SMILES for 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole is c1ccc(-c2cc3c(s2)c(-c2ccccc2)c(-c2ccccc2)c2sc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole?
The InChIKey is ZAMFHJDTJPGVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24S2/c1-4-13-26(14-5-1)33-23-31-32-24-34(30-21-20-25-12-10-11-19-29(25)22-30)40-38(32)36(28-17-8-3-9-18-28)35(37(31)39-33)27-15-6-2-7-16-27/h1-24H.
What are the key properties of 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole?
2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole has a molecular weight of 544.74 g/mol, XLogP of 11.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole is sourced from PubChem (CID 102170706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).