N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine

C53H36N2S2 — CID 171455894

IUPACN-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3cc5c(cc34)SC(c3ccccc3)N5)c3ccc(-c4ccc5ccccc5c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C53H36N2S2/c1-4-12-35(13-5-1)37-22-25-43(26-23-37)55(49-29-24-42(31-46(49)38-15-6-2-7-16-38)41-21-20-36-14-10-11-19-40(36)30-41)44-27-28-45-47-33-52-48(34-51(47)56-50(45)32-44)54-53(57-52)39-17-8-3-9-18-39/h1-34,53-54H
InChIKeyUWSFEXJIUNQRDV-UHFFFAOYSA-N
MW765.02 g/mol
LogP15.89
Rot. Bonds7

About N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine

N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine (PubChem CID 171455894) has the molecular formula C53H36N2S2 and a molecular weight of 765.02 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine
PubChem CID171455894
Molecular FormulaC53H36N2S2
Molecular Weight765.02 g/mol
Exact Mass764.23
IUPAC NameN-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3cc5c(cc34)SC(c3ccccc3)N5)c3ccc(-c4ccc5ccccc5c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C53H36N2S2/c1-4-12-35(13-5-1)37-22-25-43(26-23-37)55(49-29-24-42(31-46(49)38-15-6-2-7-16-38)41-21-20-36-14-10-11-19-40(36)30-41)44-27-28-45-47-33-52-48(34-51(47)56-50(45)32-44)54-53(57-52)39-17-8-3-9-18-39/h1-34,53-54H
InChIKeyUWSFEXJIUNQRDV-UHFFFAOYSA-N
XLogP15.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 515.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine
CID 171456233
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 166055539
N-dibenzothiophen-3-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235005
N-dibenzothiophen-2-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155122836
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N-[4-[6-[4-(N-dibenzothiophen-2-yl-2,4-diphenylanilino)phenyl]pyren-1-yl]phenyl]-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 118012272
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155122949
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434505
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine?
The IUPAC name of N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine (CID 171455894) is N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine?
The canonical SMILES for N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3cc5c(cc34)SC(c3ccccc3)N5)c3ccc(-c4ccc5ccccc5c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine?
The InChIKey is UWSFEXJIUNQRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2S2/c1-4-12-35(13-5-1)37-22-25-43(26-23-37)55(49-29-24-42(31-46(49)38-15-6-2-7-16-38)41-21-20-36-14-10-11-19-40(36)30-41)44-27-28-45-47-33-52-48(34-51(47)56-50(45)32-44)54-53(57-52)39-17-8-3-9-18-39/h1-34,53-54H.
What are the key properties of N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine?
N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine has a molecular weight of 765.02 g/mol, XLogP of 15.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-2-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzothiolo[2,3-f][1,3]benzothiazol-7-amine is sourced from PubChem (CID 171455894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).