9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene

C215H180N6O2S4 — CID 158160896

IUPAC9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene
SMILESCN(c1ccccc1)c1ccccc1.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc2c1Sc1ccccc1S2.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1cnc2ccccc21
InChIInChI=1S/C21H16.C19H15N.C19H17N.C17H12.2C15H12.C13H11N.C13H13N.C13H10O.C13H10S2.C13H10S.C11H10.C9H8O.C9H8S.C8H8N2.C7H8/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-7-6-8-4-2-3-5-9(8)10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-7-5-3-2-4-6-7/h2-14H,1H3;2-13H,1H3;2-15H,1H3;2-10H,1H3;2*2-10H,1H3;2-9H,1H3;2-11H,1H3;2-8H,1H3;2-8H,1H3;2-8H,1H3;2-8H,1H3;3*2-6H,1H3;2-6H,1H3
InChIKeyFWGJUSODOFHITO-UHFFFAOYSA-N
MW3008.11 g/mol
LogP62.34
Rot. Bonds7

About 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene

9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene (PubChem CID 158160896) has the molecular formula C215H180N6O2S4 and a molecular weight of 3008.11 g/mol. Its IUPAC name is 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene.

Molecular Properties

Compound Name9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene
PubChem CID158160896
Molecular FormulaC215H180N6O2S4
Molecular Weight3008.11 g/mol
Exact Mass3005.31
IUPAC Name9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene
SMILESCN(c1ccccc1)c1ccccc1.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc2c1Sc1ccccc1S2.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1cnc2ccccc21
InChIInChI=1S/C21H16.C19H15N.C19H17N.C17H12.2C15H12.C13H11N.C13H13N.C13H10O.C13H10S2.C13H10S.C11H10.C9H8O.C9H8S.C8H8N2.C7H8/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-7-6-8-4-2-3-5-9(8)10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-7-5-3-2-4-6-7/h2-14H,1H3;2-13H,1H3;2-15H,1H3;2-10H,1H3;2*2-10H,1H3;2-9H,1H3;2-11H,1H3;2-8H,1H3;2-8H,1H3;2-8H,1H3;2-8H,1H3;3*2-6H,1H3;2-6H,1H3
InChIKeyFWGJUSODOFHITO-UHFFFAOYSA-N
XLogP62.34
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003008.11
LogP ≤ 562.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene 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

CID 157388239
CID 157388239
CID 159393370
CID 159393370
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
CID 165089079
CID 165089079
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 167339143
1-(1-Benzofuran-2-yl)-2-[3-(1-benzofuran-2-yl)-6-methyl-2-(trifluoromethyl)-1-benzothiophen-5-yl]-3-methylbenzimidazol-3-ium
CID 169300939
Trimethyl-[4-[3-methyl-2-[7-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)-[1]benzothiolo[2,3-f][1]benzofuran-8-yl]benzimidazol-3-ium-1-yl]-3,5-di(propan-2-yl)phenyl]silane
CID 172126815
[18-(8-Fluorodibenzofuran-3-yl)-3-methylidene-11-(2-phenylphenyl)-15-thia-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16(21),17,19,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
CID 174080194
2-[7-(8-Fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
CID 156660111
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
1-[2-[8-[6-[6-(2-Imidazol-1-ylphenyl)dibenzofuran-2-yl]thieno[2,3-f][1]benzothiol-2-yl]dibenzothiophen-4-yl]phenyl]imidazole
CID 58501592

Frequently Asked Questions

What is the IUPAC name of 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene?
The IUPAC name of 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene (CID 158160896) is 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene.
What is the SMILES notation for 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene?
The canonical SMILES for 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene is CN(c1ccccc1)c1ccccc1.Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1cccc2c1Sc1ccccc1S2.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1cnc2ccccc21.
What is the InChIKey of 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene?
The InChIKey is FWGJUSODOFHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.C19H15N.C19H17N.C17H12.2C15H12.C13H11N.C13H13N.C13H10O.C13H10S2.C13H10S.C11H10.C9H8O.C9H8S.C8H8N2.C7H8/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-7-6-8-4-2-3-5-9(8)10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-7-5-3-2-4-6-7/h2-14H,1H3;2-13H,1H3;2-15H,1H3;2-10H,1H3;2*2-10H,1H3;2-9H,1H3;2-11H,1H3;2-8H,1H3;2-8H,1H3;2-8H,1H3;2-8H,1H3;3*2-6H,1H3;2-6H,1H3.
What are the key properties of 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene?
9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene has a molecular weight of 3008.11 g/mol, XLogP of 62.34, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylanthracene;1-methylbenzimidazole;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;9-methylcarbazole;4-methyldibenzofuran;4-methyldibenzothiophene;4-methyl-N,N-diphenylaniline;1-methylnaphthalene;9-methylphenanthrene;N-methyl-N-phenylaniline;9-methyl-10-phenylanthracene;9-(4-methylphenyl)carbazole;1-methylpyrene;1-methylthianthrene;toluene is sourced from PubChem (CID 158160896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).