ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene

C71H79NO2S2 — CID 158258135

IUPACethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene
SMILESCCc1ccccc1.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(C)c1C.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cn1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H]
InChIInChI=1S/C14H14.C13H11N.C9H12.C8H10.C7H8.2C5H6O.2C5H6S/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-5-4-6-8(2)9(7)3;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h3-10H,1-2H3;2-9H,1H3;4-6H,1-3H3;3-7H,2H2,1H3;2-6H,1H3;4*2-4H,1H3/i;;;;2D,3D,4D,5D,6D;;;;
InChIKeyGHNOGXVGBPDENU-AFVZWMHZSA-N
MW1047.58 g/mol
LogP21.45
Rot. Bonds2

About ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene

ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene (PubChem CID 158258135) has the molecular formula C71H79NO2S2 and a molecular weight of 1047.58 g/mol. Its IUPAC name is ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Nameethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene
PubChem CID158258135
Molecular FormulaC71H79NO2S2
Molecular Weight1047.58 g/mol
Exact Mass1046.59
IUPAC Nameethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene
SMILESCCc1ccccc1.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(C)c1C.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cn1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H]
InChIInChI=1S/C14H14.C13H11N.C9H12.C8H10.C7H8.2C5H6O.2C5H6S/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-5-4-6-8(2)9(7)3;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h3-10H,1-2H3;2-9H,1H3;4-6H,1-3H3;3-7H,2H2,1H3;2-6H,1H3;4*2-4H,1H3/i;;;;2D,3D,4D,5D,6D;;;;
InChIKeyGHNOGXVGBPDENU-AFVZWMHZSA-N
XLogP21.45
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.58
LogP ≤ 521.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene 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

[[[11-(2-Ethylhexyl)-5-[(2-methylphenyl)methyl]benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] thiophene-2-carboxylate
CID 123229889
[2-[3-[2,2-Bis(trimethylsilyl)ethyl]-2-tert-butylphenyl]-1-trimethylsilylethyl]-trimethylsilane;bis(1-tert-butylcyclopenta-1,3-diene);[2-[2-tert-butyl-3-[1,1-dideuterio-2,2-bis(trimethylsilyl)ethyl]phenyl]-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;tetrakis(2-tert-butyl-1,3-dimethylbenzene);3-tert-butylfuran;tetrakis(1-tert-butyl-2-methylbenzene);[2-(2-tert-butyl-3-methylphenyl)-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;[2-(2-tert-butyl-3-methylphenyl)-1-trimethylsilylethyl]-trimethylsilane;2-tert-butyl-1-methyl-3-(trifluoromethyl)benzene;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;(2-tert-butylphenyl)-trimethylsilane;3-tert-butylthiophene;1-tert-butyl-2-(trifluoromethyl)benzene;(2-tert-butyl-3-trimethylsilylphenyl)-trimethylsilane;1,2,3,5-tetradeuterio-4-(2,3-ditert-butylphenyl)-6-methylbenzene
CID 157837483
(9-Ethylcarbazol-3-yl)-(2-fluorophenyl)methanone;(9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(3-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-(4-methylphenyl)methanone;(9-ethylcarbazol-3-yl)-thiophen-2-ylmethanone;(9-ethylcarbazol-3-yl)-[2-(2,2,3-trifluorobutoxy)phenyl]methanone
CID 165010789
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 57610423
9-[8-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 57653808
3-Dibenzofuran-2-yl-9-[8-(3-dibenzofuran-2-ylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 57997703
9-[8-[8-[3-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 58038521
9-[3-[3-Carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole
CID 58059072
3-[9-(4-Dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
CID 58511011
5-[5-[5-[9-Ethyl-6-(4-hexoxyphenyl)carbazol-3-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-4-hexylthiophene-2-carbaldehyde
CID 59403659
9-(5-Carbazol-9-ylthiophen-2-yl)-1-(8-phenyldibenzofuran-2-yl)carbazole
CID 68266998
9-Phenyl-1-[5-[5-(9-phenylcarbazol-1-yl)furan-2-yl]thiophen-2-yl]carbazole
CID 71127190

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene?
The IUPAC name of ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene (CID 158258135) is ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene.
What is the SMILES notation for ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene?
The canonical SMILES for ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene is CCc1ccccc1.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(C)c1C.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cn1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H].
What is the InChIKey of ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene?
The InChIKey is GHNOGXVGBPDENU-AFVZWMHZSA-N. The full InChI is InChI=1S/C14H14.C13H11N.C9H12.C8H10.C7H8.2C5H6O.2C5H6S/c1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-5-4-6-8(2)9(7)3;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h3-10H,1-2H3;2-9H,1H3;4-6H,1-3H3;3-7H,2H2,1H3;2-6H,1H3;4*2-4H,1H3/i;;;;2D,3D,4D,5D,6D;;;;.
What are the key properties of ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene?
ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene has a molecular weight of 1047.58 g/mol, XLogP of 21.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;9-methylcarbazole;2-methylfuran;3-methylfuran;1-methyl-2-(4-methylphenyl)benzene;2-methylthiophene;3-methylthiophene;1,2,3,4,5-pentadeuterio-6-methylbenzene;1,2,3-trimethylbenzene is sourced from PubChem (CID 158258135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).