5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine

C34H24N2S — CID 129194520

IUPAC5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine
SMILESc1ccc(Nc2ccc3sc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c4c3c2)cc1
InChIInChI=1S/C34H24N2S/c1-4-12-24(13-5-1)35-25-20-21-32-30(22-25)34-29-19-11-10-18-28(29)31(23-33(34)37-32)36(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,35H
InChIKeyZKKDKQNOHMIVRA-UHFFFAOYSA-N
MW492.65 g/mol
LogP10.42
Rot. Bonds5

About 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine

5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine (PubChem CID 129194520) has the molecular formula C34H24N2S and a molecular weight of 492.65 g/mol. Its IUPAC name is 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine.

Molecular Properties

Compound Name5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine
PubChem CID129194520
Molecular FormulaC34H24N2S
Molecular Weight492.65 g/mol
Exact Mass492.17
IUPAC Name5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine
SMILESc1ccc(Nc2ccc3sc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c4c3c2)cc1
InChIInChI=1S/C34H24N2S/c1-4-12-24(13-5-1)35-25-20-21-32-30(22-25)34-29-19-11-10-18-28(29)31(23-33(34)37-32)36(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,35H
InChIKeyZKKDKQNOHMIVRA-UHFFFAOYSA-N
XLogP10.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine 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

8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 131979973
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
N,N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263727
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
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
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
N-chrysen-6-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 170140481
5-(7-anilinodibenzothiophen-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 131980064
N-phenyl-8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-amine
CID 131980060
2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 129194324

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine?
The IUPAC name of 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine (CID 129194520) is 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine.
What is the SMILES notation for 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine?
The canonical SMILES for 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine is c1ccc(Nc2ccc3sc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c4c3c2)cc1.
What is the InChIKey of 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine?
The InChIKey is ZKKDKQNOHMIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2S/c1-4-12-24(13-5-1)35-25-20-21-32-30(22-25)34-29-19-11-10-18-28(29)31(23-33(34)37-32)36(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,35H.
What are the key properties of 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine?
5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine has a molecular weight of 492.65 g/mol, XLogP of 10.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,10-N-triphenylnaphtho[2,1-b][1]benzothiole-5,10-diamine is sourced from PubChem (CID 129194520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).