anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole

C117H152N2OS3Se3 — CID 158346118

IUPACanthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2[se]c(C)cc2[se]1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)[se]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cn1c2ccccc2c2ccccc21.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C17H18.C14H10.C13H11N.C10H8.C8H8S2.C8H8Se2.C7H11N.C6H8O.C6H8S.C6H8Se.C6H6.8C2H6/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-5-3-7-8(9-5)4-6(2)10-7;1-6-4-5-7(2)8(6)3;3*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;8*1-2/h5-10H,1-4H3;1-10H;2-9H,1H3;1-8H;2*3-4H,1-2H3;4-5H,1-3H3;3*3-4H,1-2H3;1-6H;8*1-2H3
InChIKeyGRTFSXQCKJJMAQ-UHFFFAOYSA-N
MW1935.60 g/mol
LogP37.08
Rot. Bonds

About anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole

anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole (PubChem CID 158346118) has the molecular formula C117H152N2OS3Se3 and a molecular weight of 1935.60 g/mol. Its IUPAC name is anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Nameanthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole
PubChem CID158346118
Molecular FormulaC117H152N2OS3Se3
Molecular Weight1935.60 g/mol
Exact Mass1936.86
IUPAC Nameanthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2[se]c(C)cc2[se]1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)[se]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cn1c2ccccc2c2ccccc21.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C17H18.C14H10.C13H11N.C10H8.C8H8S2.C8H8Se2.C7H11N.C6H8O.C6H8S.C6H8Se.C6H6.8C2H6/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-5-3-7-8(9-5)4-6(2)10-7;1-6-4-5-7(2)8(6)3;3*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;8*1-2/h5-10H,1-4H3;1-10H;2-9H,1H3;1-8H;2*3-4H,1-2H3;4-5H,1-3H3;3*3-4H,1-2H3;1-6H;8*1-2H3
InChIKeyGRTFSXQCKJJMAQ-UHFFFAOYSA-N
XLogP37.08
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001935.60
LogP ≤ 537.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole 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

benzene;benzenesulfonylbenzene;benzylbenzene;9H-carbazole;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;diphenylmethanone;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;naphthalene;phenoxybenzene;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;phenylsulfanylbenzene;1,2,5-trimethylpyrrole
CID 161632517
9-Methyl-4-[5-(5-triphenylen-2-ylfuran-2-yl)thiophen-2-yl]carbazole
CID 88924330
16,22-Di(dibenzothiophen-4-yl)-12,26-diphenyl-19-oxa-12,26-diazanonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene
CID 89958550
25-Dibenzofuran-4-yl-22-dibenzothiophen-2-yl-32,32-dimethyl-22-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 90222685
5-(7-Dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90225217
2-Dibenzofuran-4-yl-5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 117731844
3-Dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098945
3-Dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-(4-phenylphenyl)carbazole
CID 118098946
3-Dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-phenylcarbazole
CID 118098947
3-Dibenzofuran-4-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098950
3-Dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-(4-phenylphenyl)carbazole
CID 118098956
3-Dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-phenylcarbazole
CID 118098957

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole?
The IUPAC name of anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole (CID 158346118) is anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole.
What is the SMILES notation for anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole?
The canonical SMILES for anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2[se]c(C)cc2[se]1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)[se]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cn1c2ccccc2c2ccccc21.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole?
The InChIKey is GRTFSXQCKJJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.C14H10.C13H11N.C10H8.C8H8S2.C8H8Se2.C7H11N.C6H8O.C6H8S.C6H8Se.C6H6.8C2H6/c1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-5-3-7-8(9-5)4-6(2)10-7;1-6-4-5-7(2)8(6)3;3*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;8*1-2/h5-10H,1-4H3;1-10H;2-9H,1H3;1-8H;2*3-4H,1-2H3;4-5H,1-3H3;3*3-4H,1-2H3;1-6H;8*1-2H3.
What are the key properties of anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole?
anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole has a molecular weight of 1935.60 g/mol, XLogP of 37.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethylselenopheno[3,2-b]selenophene;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;9-methylcarbazole;naphthalene;2,7,9,9-tetramethylfluorene;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158346118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).