1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine

C52H37N3S — CID 147650756

IUPAC1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2c(N(c4ccccc4)c4ccccc4)c4ccccc4cc23)cc1
InChIInChI=1S/C52H37N3S/c1-7-22-39(23-8-1)53(40-24-9-2-10-25-40)45-36-48(54(41-26-11-3-12-27-41)42-28-13-4-14-29-42)50-47-35-38-21-19-20-34-46(38)51(52(47)56-49(50)37-45)55(43-30-15-5-16-31-43)44-32-17-6-18-33-44/h1-37H
InChIKeyGJLCZEKXRLSGCG-UHFFFAOYSA-N
MW735.96 g/mol
LogP15.62
Rot. Bonds9

About 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine

1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine (PubChem CID 147650756) has the molecular formula C52H37N3S and a molecular weight of 735.96 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine
PubChem CID147650756
Molecular FormulaC52H37N3S
Molecular Weight735.96 g/mol
Exact Mass735.27
IUPAC Name1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2c(N(c4ccccc4)c4ccccc4)c4ccccc4cc23)cc1
InChIInChI=1S/C52H37N3S/c1-7-22-39(23-8-1)53(40-24-9-2-10-25-40)45-36-48(54(41-26-11-3-12-27-41)42-28-13-4-14-29-42)50-47-35-38-21-19-20-34-46(38)51(52(47)56-49(50)37-45)55(43-30-15-5-16-31-43)44-32-17-6-18-33-44/h1-37H
InChIKeyGJLCZEKXRLSGCG-UHFFFAOYSA-N
XLogP15.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine with MolForge

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Related Compounds

7-N,7-N,9-N-triphenyl-9-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856828
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzothiole-1,3-diamine
CID 166856335
7-N-phenyl-9-N-(3-phenylphenyl)-7-N,9-N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856623
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
1-N,3-N-diphenyl-1-N,3-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzothiole-1,3-diamine
CID 166856317
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
1-N,3-N-dinaphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiole-1,3-diamine
CID 166856012
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
9-N-dibenzothiophen-2-yl-7-N-dibenzothiophen-3-yl-5-N,5-N,7-N,9-N-tetraphenylnaphtho[1,2-b][1]benzothiole-5,7,9-triamine
CID 155172859
2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine
CID 147538120
3-N-(1-chlorodibenzothiophen-4-yl)-1-N,1-N,3-N-triphenyldibenzothiophene-1,3-diamine
CID 146551476
2-N,2-N,3-N-triphenyl-3-N-[1-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-2,3-diamine
CID 162493621

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine?
The IUPAC name of 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine (CID 147650756) is 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine?
The canonical SMILES for 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c(c2)sc2c(N(c4ccccc4)c4ccccc4)c4ccccc4cc23)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine?
The InChIKey is GJLCZEKXRLSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3S/c1-7-22-39(23-8-1)53(40-24-9-2-10-25-40)45-36-48(54(41-26-11-3-12-27-41)42-28-13-4-14-29-42)50-47-35-38-21-19-20-34-46(38)51(52(47)56-49(50)37-45)55(43-30-15-5-16-31-43)44-32-17-6-18-33-44/h1-37H.
What are the key properties of 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine?
1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine has a molecular weight of 735.96 g/mol, XLogP of 15.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,6-triamine is sourced from PubChem (CID 147650756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).