7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane

C223H281N17O3S — CID 165089532

IUPAC7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane
SMILESC.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(n1)C=CC2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2cc[nH]c12.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cncc2ccoc12
InChIInChI=1S/2C13H16.11C12H15N.C12H14O.2C11H14N2.2C11H13NO.C8H12S.CH4/c2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;4*1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;3*1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-8(2,3)7-5-4-6-9-7;/h4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;2*4-6,8H,7H2,1-3H3;2*4-7H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;3*4,6-8H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3;1H4
InChIKeyWLVLNJZRRVFBOZ-UHFFFAOYSA-N
MW3279.88 g/mol
LogP59.38
Rot. Bonds

About 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane

7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane (PubChem CID 165089532) has the molecular formula C223H281N17O3S and a molecular weight of 3279.88 g/mol. Its IUPAC name is 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane.

Molecular Properties

Compound Name7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane
PubChem CID165089532
Molecular FormulaC223H281N17O3S
Molecular Weight3279.88 g/mol
Exact Mass3277.21
IUPAC Name7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane
SMILESC.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(n1)C=CC2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2cc[nH]c12.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cncc2ccoc12
InChIInChI=1S/2C13H16.11C12H15N.C12H14O.2C11H14N2.2C11H13NO.C8H12S.CH4/c2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;4*1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;3*1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-8(2,3)7-5-4-6-9-7;/h4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;2*4-6,8H,7H2,1-3H3;2*4-7H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;3*4,6-8H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3;1H4
InChIKeyWLVLNJZRRVFBOZ-UHFFFAOYSA-N
XLogP59.38
TPSA261.17 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003279.88
LogP ≤ 559.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane?
The IUPAC name of 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane (CID 165089532) is 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane.
What is the SMILES notation for 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane?
The canonical SMILES for 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane is C.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CC=N2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1ccc2c(n1)C=CC2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1ccc2c(n1)CC=C2.CC(C)(C)c1cccc2ccoc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc2cc[nH]c12.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cnc2c(c1)CC=C2.CC(C)(C)c1cncc2ccoc12.
What is the InChIKey of 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane?
The InChIKey is WLVLNJZRRVFBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16.11C12H15N.C12H14O.2C11H14N2.2C11H13NO.C8H12S.CH4/c2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;4*1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;3*1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-8(2,3)7-5-4-6-9-7;/h4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;2*4-6,8H,7H2,1-3H3;2*4-7H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;3*4,6-8H,5H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3;1H4.
What are the key properties of 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane?
7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane has a molecular weight of 3279.88 g/mol, XLogP of 59.38, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-benzofuran;7-tert-butyl-1,2-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;bis(2-tert-butyl-7H-cyclopenta[b]pyridine);bis(3-tert-butyl-5H-cyclopenta[b]pyridine);7-tert-butylfuro[3,2-c]pyridine;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;bis(5-tert-butyl-3H-indole);bis(5-tert-butyl-1H-isoindole);bis(6-tert-butyl-1H-isoindole);7-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butylthiophene;methane is sourced from PubChem (CID 165089532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).