(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene

C60H50N2OS2 — CID 145430425

IUPAC(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
SMILESC/C=C\C.C=Cc1sc2ccccc2c1/C=C\C.CN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C43H30N2OS.C13H12S.C4H8/c1-44(33-15-10-16-35(27-33)45(31-11-4-2-5-12-31)32-13-6-3-7-14-32)34-21-24-43-39(28-34)38-26-30(20-23-42(38)47-43)29-19-22-41-37(25-29)36-17-8-9-18-40(36)46-41;1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2;1-3-4-2/h2-28H,1H3;3-9H,2H2,1H3;3-4H,1-2H3/b;7-3-;4-3-
InChIKeyLHPOEWYPZIVPOM-HCUBNWJHSA-N
MW879.21 g/mol
LogP19.02
Rot. Bonds8

About (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene

(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene (PubChem CID 145430425) has the molecular formula C60H50N2OS2 and a molecular weight of 879.21 g/mol. Its IUPAC name is (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene.

Molecular Properties

Compound Name(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
PubChem CID145430425
Molecular FormulaC60H50N2OS2
Molecular Weight879.21 g/mol
Exact Mass878.34
IUPAC Name(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
SMILESC/C=C\C.C=Cc1sc2ccccc2c1/C=C\C.CN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C43H30N2OS.C13H12S.C4H8/c1-44(33-15-10-16-35(27-33)45(31-11-4-2-5-12-31)32-13-6-3-7-14-32)34-21-24-43-39(28-34)38-26-30(20-23-42(38)47-43)29-19-22-41-37(25-29)36-17-8-9-18-40(36)46-41;1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2;1-3-4-2/h2-28H,1H3;3-9H,2H2,1H3;3-4H,1-2H3/b;7-3-;4-3-
InChIKeyLHPOEWYPZIVPOM-HCUBNWJHSA-N
XLogP19.02
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.21
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene 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

3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
4-dibenzothiophen-2-yl-N,N-dimethylaniline;ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145067584
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
3-N-[7-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-naphthalen-1-ylamino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-3-N,7-N-diphenyldibenzothiophene-3,7-diamine
CID 167295274
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
CID 158769346
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-[4-[6-[4-(N-dibenzofuran-2-ylanilino)phenyl]-9-dibenzothiophen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 149148527
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene?
The IUPAC name of (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene (CID 145430425) is (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene.
What is the SMILES notation for (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene?
The canonical SMILES for (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene is C/C=C\C.C=Cc1sc2ccccc2c1/C=C\C.CN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1.
What is the InChIKey of (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene?
The InChIKey is LHPOEWYPZIVPOM-HCUBNWJHSA-N. The full InChI is InChI=1S/C43H30N2OS.C13H12S.C4H8/c1-44(33-15-10-16-35(27-33)45(31-11-4-2-5-12-31)32-13-6-3-7-14-32)34-21-24-43-39(28-34)38-26-30(20-23-42(38)47-43)29-19-22-41-37(25-29)36-17-8-9-18-40(36)46-41;1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2;1-3-4-2/h2-28H,1H3;3-9H,2H2,1H3;3-4H,1-2H3/b;7-3-;4-3-.
What are the key properties of (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene?
(Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene has a molecular weight of 879.21 g/mol, XLogP of 19.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;1-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene is sourced from PubChem (CID 145430425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).