9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine

C54H36N2S — CID 166856065

IUPAC9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3cc4c(cc3N(c3ccccc3)c3ccc5ccccc5c3)sc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H36N2S/c1-3-14-37(15-4-1)43-21-13-24-45(32-43)56(47-30-27-39-17-8-10-20-42(39)34-47)50-35-49-53(57-52-31-28-40-18-11-12-25-48(40)54(49)52)36-51(50)55(44-22-5-2-6-23-44)46-29-26-38-16-7-9-19-41(38)33-46/h1-36H
InChIKeyGMWFAGXYLTXQDP-UHFFFAOYSA-N
MW744.96 g/mol
LogP16.12
Rot. Bonds7

About 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine

9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine (PubChem CID 166856065) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine
PubChem CID166856065
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3cc4c(cc3N(c3ccccc3)c3ccc5ccccc5c3)sc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H36N2S/c1-3-14-37(15-4-1)43-21-13-24-45(32-43)56(47-30-27-39-17-8-10-20-42(39)34-47)50-35-49-53(57-52-31-28-40-18-11-12-25-48(40)54(49)52)36-51(50)55(44-22-5-2-6-23-44)46-29-26-38-16-7-9-19-41(38)33-46/h1-36H
InChIKeyGMWFAGXYLTXQDP-UHFFFAOYSA-N
XLogP16.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-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

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
N-(3-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-N,8-diphenyldibenzothiophen-2-amine
CID 170050563
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037373
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N-benzo[g]phenanthren-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 167183406
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
N-naphtho[2,1-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 118616579
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 167680897
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170037227

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine?
The IUPAC name of 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine (CID 166856065) is 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine.
What is the SMILES notation for 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine?
The canonical SMILES for 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3cc4c(cc3N(c3ccccc3)c3ccc5ccccc5c3)sc3ccc5ccccc5c34)c2)cc1.
What is the InChIKey of 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine?
The InChIKey is GMWFAGXYLTXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-14-37(15-4-1)43-21-13-24-45(32-43)56(47-30-27-39-17-8-10-20-42(39)34-47)50-35-49-53(57-52-31-28-40-18-11-12-25-48(40)54(49)52)36-51(50)55(44-22-5-2-6-23-44)46-29-26-38-16-7-9-19-41(38)33-46/h1-36H.
What are the key properties of 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine?
9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine has a molecular weight of 744.96 g/mol, XLogP of 16.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-dinaphthalen-2-yl-9-N-phenyl-10-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiole-9,10-diamine is sourced from PubChem (CID 166856065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).