N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine

C39H24N2S2 — CID 174294467

IUPACN-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2nc3ccc4c5ccccc5ccc4c3s2)cc1
InChIInChI=1S/C39H24N2S2/c1-2-12-27(13-3-1)41(39-40-34-23-22-31-29-15-5-4-10-25(29)20-21-32(31)38(34)43-39)28-14-8-11-26(24-28)30-17-9-19-36-37(30)33-16-6-7-18-35(33)42-36/h1-24H
InChIKeyLXMSCBPDXRQLBM-UHFFFAOYSA-N
MW584.77 g/mol
LogP12.11
Rot. Bonds4

About N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine

N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine (PubChem CID 174294467) has the molecular formula C39H24N2S2 and a molecular weight of 584.77 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine
PubChem CID174294467
Molecular FormulaC39H24N2S2
Molecular Weight584.77 g/mol
Exact Mass584.14
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2nc3ccc4c5ccccc5ccc4c3s2)cc1
InChIInChI=1S/C39H24N2S2/c1-2-12-27(13-3-1)41(39-40-34-23-22-31-29-15-5-4-10-25(29)20-21-32(31)38(34)43-39)28-14-8-11-26(24-28)30-17-9-19-36-37(30)33-16-6-7-18-35(33)42-36/h1-24H
InChIKeyLXMSCBPDXRQLBM-UHFFFAOYSA-N
XLogP12.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.77
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)benzo[g][1,3]benzothiazol-2-amine
CID 163515876
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170040977
N-(4-chrysen-6-ylphenyl)-3-[6-[3-[4-(N-(4-chrysen-6-ylphenyl)-4-dibenzothiophen-4-ylanilino)phenyl]phenyl]dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
CID 170137054
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-phenylphenanthren-3-amine
CID 165003854
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
CID 172508771
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;ethanethiol
CID 145242767
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine (CID 174294467) is N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine is c1ccc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2nc3ccc4c5ccccc5ccc4c3s2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine?
The InChIKey is LXMSCBPDXRQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2S2/c1-2-12-27(13-3-1)41(39-40-34-23-22-31-29-15-5-4-10-25(29)20-21-32(31)38(34)43-39)28-14-8-11-26(24-28)30-17-9-19-36-37(30)33-16-6-7-18-35(33)42-36/h1-24H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine?
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine has a molecular weight of 584.77 g/mol, XLogP of 12.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-g][1,3]benzothiazol-2-amine is sourced from PubChem (CID 174294467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).