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

C64H41N3S3 — CID 155172859

IUPAC9-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
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c(c2)sc2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C64H41N3S3/c1-5-19-42(20-6-1)65(46-34-36-60-54(37-46)51-29-16-18-32-59(51)68-60)48-38-57(67(45-25-11-4-12-26-45)47-33-35-52-50-28-15-17-31-58(50)69-61(52)39-47)63-55-41-56(49-27-13-14-30-53(49)64(55)70-62(63)40-48)66(43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-41H
InChIKeyDQGNRZGSDDERIH-UHFFFAOYSA-N
MW948.25 g/mol
LogP20.35
Rot. Bonds9

About 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

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 (PubChem CID 155172859) has the molecular formula C64H41N3S3 and a molecular weight of 948.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID155172859
Molecular FormulaC64H41N3S3
Molecular Weight948.25 g/mol
Exact Mass947.25
IUPAC Name9-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
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c(c2)sc2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C64H41N3S3/c1-5-19-42(20-6-1)65(46-34-36-60-54(37-46)51-29-16-18-32-59(51)68-60)48-38-57(67(45-25-11-4-12-26-45)47-33-35-52-50-28-15-17-31-58(50)69-61(52)39-47)63-55-41-56(49-27-13-14-30-53(49)64(55)70-62(63)40-48)66(43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-41H
InChIKeyDQGNRZGSDDERIH-UHFFFAOYSA-N
XLogP20.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.25
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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

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,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;5-N-dibenzothiophen-3-yl-5-N,10-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine;9-N-dibenzothiophen-3-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
CID 158283739
2-N,2-N,3-N-triphenyl-3-N-[1-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-2,3-diamine
CID 162493621
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 160969253
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818
1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-diphenylchrysene-1,3-diamine
CID 170410658
6,7,8,9-tetradeuterio-1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 162493627
3-N-(4-dibenzothiophen-3-ylphenyl)-1-N-phenyl-1-N,3-N-bis(4-phenylphenyl)dibenzothiophene-1,3-diamine
CID 177116813
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c(c2)sc2c4ccccc4c(N(c4ccccc4)c4ccccc4)cc23)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is DQGNRZGSDDERIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3S3/c1-5-19-42(20-6-1)65(46-34-36-60-54(37-46)51-29-16-18-32-59(51)68-60)48-38-57(67(45-25-11-4-12-26-45)47-33-35-52-50-28-15-17-31-58(50)69-61(52)39-47)63-55-41-56(49-27-13-14-30-53(49)64(55)70-62(63)40-48)66(43-21-7-2-8-22-43)44-23-9-3-10-24-44/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 948.25 g/mol, XLogP of 20.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155172859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).