9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene

C58H67N5O6S2 — CID 158867239

IUPAC9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cnco1.Cc1ncco1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C13H11N.C9H12.2C5H6O.2C5H6S.4C4H5NO/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-5-4-6-8(2)9(7)3;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-9H,1H3;4-6H,1-3H3;4*2-4H,1H3;4*2-3H,1H3
InChIKeyJBJUOUHBINZNPF-UHFFFAOYSA-N
MW994.34 g/mol
LogP17.16
Rot. Bonds

About 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene

9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene (PubChem CID 158867239) has the molecular formula C58H67N5O6S2 and a molecular weight of 994.34 g/mol. Its IUPAC name is 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene
PubChem CID158867239
Molecular FormulaC58H67N5O6S2
Molecular Weight994.34 g/mol
Exact Mass993.45
IUPAC Name9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cnco1.Cc1ncco1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C13H11N.C9H12.2C5H6O.2C5H6S.4C4H5NO/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-5-4-6-8(2)9(7)3;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-9H,1H3;4-6H,1-3H3;4*2-4H,1H3;4*2-3H,1H3
InChIKeyJBJUOUHBINZNPF-UHFFFAOYSA-N
XLogP17.16
TPSA135.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500994.34
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene with MolForge

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Related Compounds

bis(tert-butylbenzene);bis(1-tert-butylcyclopenta-1,3-diene);2-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylindole;3-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butylthiophene
CID 157219118
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole
CID 157702497
9-Methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene;2,4,5-trimethylpyrimidine;4,5,6-trimethylpyrimidine
CID 157768052
2-[3-(2,6-Diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;5-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-1,3-oxazole;2-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-4-phenyl-1,3-oxazole;5-[3-(2,6-diphenylphenyl)-2-benzothiophen-1-yl]-2-phenyl-1,3-oxazole
CID 157848063
1,3-Dimethyl-5-(2-methylphenyl)benzene;2,4-dimethyl-1-(2-methylphenyl)benzene;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1,3,5-trimethyl-2-(2-methylphenyl)benzene
CID 157892107
2,2-Dimethylhexan-3-ylbenzene;1-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,3-oxazole;5-(2,2-dimethylhexan-3-yl)-1,2-oxazole;2-(2,2-dimethylhexan-3-yl)pyridine;2-(2,2-dimethylhexan-3-yl)thiophene;3-(2,2-dimethylhexan-3-yl)thiophene
CID 157926806
ethane;2-methylfuran;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157962371
1-methyl-5-phenyl-4H-cyclopenta[b]pyrrole;1-methyl-6-phenyl-4,5-dihydroindole;5-phenyl-4H-cyclopenta[b]furan;5-phenyl-4H-cyclopenta[b]thiophene;6-phenyl-4,5-dihydro-1-benzofuran;6-phenyl-4,5-dihydro-1-benzothiophene;6-phenyl-4,5-dihydro-1,3-benzoxazole;3-phenyl-1,2-dihydronaphthalene
CID 157967468
2,4-Dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 158416334
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole
CID 158420461
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 158511894
1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene
CID 158553745

Frequently Asked Questions

What is the IUPAC name of 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene?
The IUPAC name of 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene (CID 158867239) is 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene.
What is the SMILES notation for 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene?
The canonical SMILES for 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene is Cc1cccc(C)c1C.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cnco1.Cc1ncco1.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene?
The InChIKey is JBJUOUHBINZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C9H12.2C5H6O.2C5H6S.4C4H5NO/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-7-5-4-6-8(2)9(7)3;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-9H,1H3;4-6H,1-3H3;4*2-4H,1H3;4*2-3H,1H3.
What are the key properties of 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene?
9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene has a molecular weight of 994.34 g/mol, XLogP of 17.16, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylthiophene;3-methylthiophene;1,2,3-trimethylbenzene is sourced from PubChem (CID 158867239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).