tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C141H174N6O4 — CID 159329051

IUPACtert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccn1.CC(C)c1ccncc1
InChIInChI=1S/C16H18.2C15H17N.C14H16.C13H15N.C12H16O.C11H14O.C10H12O2.C10H14.C9H13N.2C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;2*4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3
InChIKeyLESVRMXGGIDROX-UHFFFAOYSA-N
MW2016.98 g/mol
LogP38.48
Rot. Bonds7

About tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine

tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 159329051) has the molecular formula C141H174N6O4 and a molecular weight of 2016.98 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID159329051
Molecular FormulaC141H174N6O4
Molecular Weight2016.98 g/mol
Exact Mass2015.36
IUPAC Nametert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccn1.CC(C)c1ccncc1
InChIInChI=1S/C16H18.2C15H17N.C14H16.C13H15N.C12H16O.C11H14O.C10H12O2.C10H14.C9H13N.2C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;2*4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3
InChIKeyLESVRMXGGIDROX-UHFFFAOYSA-N
XLogP38.48
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002016.98
LogP ≤ 538.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

Berberine sulfate anhydrous
CID 9424
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, chloride, mixt. with 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium chloride
CID 44148070
Berberine sulfate trihydrate
CID 71587234
17-Methoxy-16-[2-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]ethoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dibromide
CID 46906936
17-Methoxy-16-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]propoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dibromide
CID 46906938
17-Methoxy-16-[4-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]butoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dibromide
CID 46906939
17-Methoxy-16-(naphthalen-2-ylmethoxy)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene bromide
CID 162650608
17-Methoxy-16-(3-quinolin-1-ium-1-ylpropoxy)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dichloride
CID 44583339
17-Methoxy-16-[5-(2-methylindol-1-yl)pentoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 168269268
16-(5-Indol-1-ylpentoxy)-17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 168284794
(1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl-, sulfate (1:1), mixt. with 1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium sulfate (1:1)
CID 10260067
9-O-3'-quinolinium propylberberine
CID 44583340

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 159329051) is tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2cccnc2)cc1.CC(C)(C)c1ccc(-c2ccncc2)cc1.CC(C)(C)c1ccc2c(c1)COC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccn1.CC(C)c1ccncc1.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is LESVRMXGGIDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.2C15H17N.C14H16.C13H15N.C12H16O.C11H14O.C10H12O2.C10H14.C9H13N.2C8H11N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h4-12H,1-3H3;2*4-11H,1-3H3;4-10H,1-3H3;4-9H,1-3H3;4-6H,7-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 2016.98 g/mol, XLogP of 38.48, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1,3-dihydro-2-benzofuran;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;3-tert-butylpyridine;4-tert-butylquinoline;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 159329051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).