but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene

C68H84N4OS — CID 157231735

IUPACbut-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
SMILESCC=CC.CNc1ccc(C)cc1.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)Nc1cc(C)ccc1CC2.Cc1ccc2c(c1)[nH]c1cc(C)ccc12
InChIInChI=1S/C16H17N.C14H13N.C8H11N.C8H10.C6H9N.C6H8O.C6H8S.C4H8/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)17-15(13)9-11;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5;1-3-4-2/h3-6,9-10,17H,7-8H2,1-2H3;3-8,15H,1-2H3;3-6,9H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;3-4H,1-2H3
InChIKeyAUEMOMPWTQIXNP-UHFFFAOYSA-N
MW1005.51 g/mol
LogP19.90
Rot. Bonds1

About but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene

but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene (PubChem CID 157231735) has the molecular formula C68H84N4OS and a molecular weight of 1005.51 g/mol. Its IUPAC name is but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene.

Molecular Properties

Compound Namebut-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
PubChem CID157231735
Molecular FormulaC68H84N4OS
Molecular Weight1005.51 g/mol
Exact Mass1004.64
IUPAC Namebut-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
SMILESCC=CC.CNc1ccc(C)cc1.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)Nc1cc(C)ccc1CC2.Cc1ccc2c(c1)[nH]c1cc(C)ccc12
InChIInChI=1S/C16H17N.C14H13N.C8H11N.C8H10.C6H9N.C6H8O.C6H8S.C4H8/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)17-15(13)9-11;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5;1-3-4-2/h3-6,9-10,17H,7-8H2,1-2H3;3-8,15H,1-2H3;3-6,9H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;3-4H,1-2H3
InChIKeyAUEMOMPWTQIXNP-UHFFFAOYSA-N
XLogP19.90
TPSA68.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.51
LogP ≤ 519.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene 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-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 57610462
3-[9-(4-Dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
CID 58511011
2-[9-(4-Dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole
CID 58511017
3-[9-(4-Dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 58511090
2-[9-(4-Dibenzofuran-2-ylphenyl)-6-phenylcarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)-6-phenylcarbazole
CID 58511094
2-[9-(4-Dibenzofuran-2-ylphenyl)-4b,8a-dihydrocarbazol-2-yl]-9-(4-dibenzothiophen-2-ylphenyl)carbazole
CID 68206715
3-[9-(4-Dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 71248613
9-Methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole
CID 88924330
5-[3-(3,4,5-Triphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
CID 89272604
5-[3-(5-Cyclohexa-1,3-dien-1-yl-3,4-diphenylfuran-2-yl)phenyl]-11-[3-(3,4,5-triphenylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
CID 89307279
8-Dibenzofuran-3-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 90051079
12-(4-Dibenzofuran-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole
CID 90225221

Frequently Asked Questions

What is the IUPAC name of but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene?
The IUPAC name of but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene (CID 157231735) is but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene.
What is the SMILES notation for but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene?
The canonical SMILES for but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene is CC=CC.CNc1ccc(C)cc1.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)Nc1cc(C)ccc1CC2.Cc1ccc2c(c1)[nH]c1cc(C)ccc12.
What is the InChIKey of but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene?
The InChIKey is AUEMOMPWTQIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.C14H13N.C8H11N.C8H10.C6H9N.C6H8O.C6H8S.C4H8/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)17-15(13)9-11;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;3*1-5-3-4-6(2)7-5;1-3-4-2/h3-6,9-10,17H,7-8H2,1-2H3;3-8,15H,1-2H3;3-6,9H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;3-4H,1-2H3.
What are the key properties of but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene?
but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene has a molecular weight of 1005.51 g/mol, XLogP of 19.90, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;N,4-dimethylaniline;2,7-dimethyl-9H-carbazole;2,9-dimethyl-6,11-dihydro-5H-benzo[b][1]benzazepine;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene is sourced from PubChem (CID 157231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).