5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene

C120H145N13S — CID 157165036

IUPAC5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene
SMILESCC(C)(C)Cc1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)s1.CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1-n1cccn1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H20.C14H16S.2C13H16N2.C13H17N.2C13H15N.2C12H15N3/c1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-14(2,3)13-10-9-12(15-13)11-7-5-4-6-8-11;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;1-13(2,3)11-7-4-5-8-12(11)15-10-6-9-14-15;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h4-12H,13H2,1-3H3;3*4-10H,1-3H3;5-9H,1-4H3;2*4-9H,1-3H3;2*4-9H,1-3H3
InChIKeyAMUQINKHNHDWQV-UHFFFAOYSA-N
MW1801.64 g/mol
LogP31.66
Rot. Bonds7

About 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene

5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene (PubChem CID 157165036) has the molecular formula C120H145N13S and a molecular weight of 1801.64 g/mol. Its IUPAC name is 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene.

Molecular Properties

Compound Name5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene
PubChem CID157165036
Molecular FormulaC120H145N13S
Molecular Weight1801.64 g/mol
Exact Mass1800.15
IUPAC Name5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene
SMILESCC(C)(C)Cc1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)s1.CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1-n1cccn1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H20.C14H16S.2C13H16N2.C13H17N.2C13H15N.2C12H15N3/c1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-14(2,3)13-10-9-12(15-13)11-7-5-4-6-8-11;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;1-13(2,3)11-7-4-5-8-12(11)15-10-6-9-14-15;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h4-12H,13H2,1-3H3;3*4-10H,1-3H3;5-9H,1-4H3;2*4-9H,1-3H3;2*4-9H,1-3H3
InChIKeyAMUQINKHNHDWQV-UHFFFAOYSA-N
XLogP31.66
TPSA127.77 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001801.64
LogP ≤ 531.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene with MolForge

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Related Compounds

N-methyl-6-(1-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44968187
N-methyl-6-(2-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44968188
14-[6-Ethenyl-9-[[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-7-prop-1-enyl-20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl]-3-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123765260
2,8-Bis(diphenylphosphoryl)dibenzothiophene;2,4-bis(3-pyrazol-1-ylphenyl)-6-(3-pyrrol-1-ylphenyl)-1,3,5-triazine;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[3-(2-methylphenyl)phenyl]-4,6-bis[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 158118507
1-(3H-1-benzothiophen-3-id-2-yl)-4-(2,6-dimethylphenyl)benzo[g]phthalazine;4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylbenzo[g]quinoxaline;tris(iridium);bis(1-methyl-3-phenyl-2H-benzimidazol-1-ium-2-ide);1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide;tris(2-phenylpyridine)
CID 161312331
1-Phenyl-n3-(dibenzo[f,h]pyrimido[4',5':4,5]thieno[2,3-c]cinnolin-8-yl-amino)-1h-pyrazole-3,5diamine
CID 139267639
1-[3-[2-[9-([1]Benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]pyrimidin-4-yl]carbazol-9-yl]-2,2-dibenzyl-1-fluorohydrazine
CID 145608447
N,N-dimethyl-1-[4-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-tritylpyrazol-3-yl]phenyl]methanamine
CID 22031329
N,N-dimethyl-4-[4-[4-(5-methylsulfanylthiophen-2-yl)quinazolin-6-yl]-1-tritylpyrazol-3-yl]aniline
CID 22031992
6-[3-(4-Methylphenyl)-1-tritylpyrazol-4-yl]-4-(5-methylsulfanylthiophen-2-yl)quinazoline
CID 23537489
2-[3-Benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole
CID 58479948
3-[5-[9,9-Dimethyl-7-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]fluoren-2-yl]thiophen-2-yl]-9-pyridin-2-ylcarbazole
CID 59236038

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene?
The IUPAC name of 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene (CID 157165036) is 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene.
What is the SMILES notation for 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene?
The canonical SMILES for 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene is CC(C)(C)Cc1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2ccccc2)s1.CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-n2cncn2)c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1-n1cccn1.Cn1cc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene?
The InChIKey is AMUQINKHNHDWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C14H16S.2C13H16N2.C13H17N.2C13H15N.2C12H15N3/c1-17(2,3)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15;1-14(2,3)13-10-9-12(15-13)11-7-5-4-6-8-11;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;1-13(2,3)11-7-4-5-8-12(11)15-10-6-9-14-15;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h4-12H,13H2,1-3H3;3*4-10H,1-3H3;5-9H,1-4H3;2*4-9H,1-3H3;2*4-9H,1-3H3.
What are the key properties of 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene?
5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene has a molecular weight of 1801.64 g/mol, XLogP of 31.66, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene is sourced from PubChem (CID 157165036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).