2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine

C52H37N3S — CID 147538120

IUPAC2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4cc5c(N(c6ccccc6)c6ccccc6)cccc5cc4c3c2)cc1
InChIInChI=1S/C52H37N3S/c1-7-21-39(22-8-1)53(40-23-9-2-10-24-40)45-35-48-47-34-38-20-19-33-49(54(41-25-11-3-12-26-41)42-27-13-4-14-28-42)46(38)37-51(47)56-52(48)50(36-45)55(43-29-15-5-16-30-43)44-31-17-6-18-32-44/h1-37H
InChIKeyFOJFQCOKKSTCQV-UHFFFAOYSA-N
MW735.96 g/mol
LogP15.62
Rot. Bonds9

About 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine

2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine (PubChem CID 147538120) has the molecular formula C52H37N3S and a molecular weight of 735.96 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine
PubChem CID147538120
Molecular FormulaC52H37N3S
Molecular Weight735.96 g/mol
Exact Mass735.27
IUPAC Name2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4cc5c(N(c6ccccc6)c6ccccc6)cccc5cc4c3c2)cc1
InChIInChI=1S/C52H37N3S/c1-7-21-39(22-8-1)53(40-23-9-2-10-24-40)45-35-48-47-34-38-20-19-33-49(54(41-25-11-3-12-26-41)42-27-13-4-14-28-42)46(38)37-51(47)56-52(48)50(36-45)55(43-29-15-5-16-30-43)44-31-17-6-18-32-44/h1-37H
InChIKeyFOJFQCOKKSTCQV-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 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
CID 160948013
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
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
2-N,4-N-dinaphthalen-1-yl-2-N,4-N-diphenyl-7-(9-phenylcarbazol-2-yl)dibenzothiophene-2,4-diamine
CID 129178911
8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
CID 153311677
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
N-naphthalen-1-yl-N-phenyl-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-amine
CID 130465034
1-N,1-N,4-N,4-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzofuran-1,4,6-triamine;1-N,1-N,4-N,4-N,11-N,11-N-hexakis-phenylnaphtho[3,2-b][1]benzofuran-1,4,11-triamine;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,9-N,9-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-1,3,9-triamine;1-N,1-N,3-N,3-N,11-N,11-N-hexakis-phenylnaphtho[3,2-b][1]benzothiole-1,3,11-triamine;2-N,2-N,4-N,4-N,6-N,6-N-hexakis-phenylnaphtho[2,3-b][1]benzothiole-2,4,6-triamine;2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine;2-N,2-N,4-N,4-N,11-N,11-N-hexakis-phenylnaphtho[3,2-b][1]benzothiole-2,4,11-triamine
CID 163587850
4-[4-[2-(N-phenanthren-9-ylanilino)dibenzothiophen-4-yl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 146638922

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine?
The IUPAC name of 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) is 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4cc5c(N(c6ccccc6)c6ccccc6)cccc5cc4c3c2)cc1.
What is the InChIKey of 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine?
The InChIKey is FOJFQCOKKSTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3S/c1-7-21-39(22-8-1)53(40-23-9-2-10-24-40)45-35-48-47-34-38-20-19-33-49(54(41-25-11-3-12-26-41)42-27-13-4-14-28-42)46(38)37-51(47)56-52(48)50(36-45)55(43-29-15-5-16-30-43)44-31-17-6-18-32-44/h1-37H.
What are the key properties of 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine?
2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-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 2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenylnaphtho[7,6-b][1]benzothiole-2,4,7-triamine is sourced from PubChem (CID 147538120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).