methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile

C162H210N40 — CID 123283380

IUPACmethane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile
SMILESC.C.CC(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C)C#N
InChIInChI=1S/C160H202N40.2CH4/c1-121(43-161)42-123(4,83-163)45-125(6,85-165)47-127(8,87-167)49-129(10,89-169)51-131(12,91-171)53-133(14,93-173)55-135(16,95-175)57-137(18,97-177)59-139(20,99-179)61-141(22,101-181)63-143(24,103-183)65-145(26,105-185)67-147(28,107-187)69-149(30,109-189)71-151(32,111-191)73-153(34,113-193)75-155(36,115-195)77-157(38,117-197)79-159(40,119-199)81-160(41,120-200)80-158(39,118-198)78-156(37,116-196)76-154(35,114-194)74-152(33,112-192)72-150(31,110-190)70-148(29,108-188)68-146(27,106-186)66-144(25,104-184)64-142(23,102-182)62-140(21,100-180)60-138(19,98-178)58-136(17,96-176)56-134(15,94-174)54-132(13,92-172)52-130(11,90-170)50-128(9,88-168)48-126(7,86-166)46-124(5,84-164)44-122(2,3)82-162;;/h121H,42,44-81H2,1-41H3;2*1H4
InChIKeyOXCYTOTXZRFKPQ-UHFFFAOYSA-N
MW2717.74 g/mol
LogP38.32
Rot. Bonds78

About methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile

methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile (PubChem CID 123283380) has the molecular formula C162H210N40 and a molecular weight of 2717.74 g/mol. Its IUPAC name is methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile.

Molecular Properties

Compound Namemethane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile
PubChem CID123283380
Molecular FormulaC162H210N40
Molecular Weight2717.74 g/mol
Exact Mass2715.77
IUPAC Namemethane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile
SMILESC.C.CC(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C)C#N
InChIInChI=1S/C160H202N40.2CH4/c1-121(43-161)42-123(4,83-163)45-125(6,85-165)47-127(8,87-167)49-129(10,89-169)51-131(12,91-171)53-133(14,93-173)55-135(16,95-175)57-137(18,97-177)59-139(20,99-179)61-141(22,101-181)63-143(24,103-183)65-145(26,105-185)67-147(28,107-187)69-149(30,109-189)71-151(32,111-191)73-153(34,113-193)75-155(36,115-195)77-157(38,117-197)79-159(40,119-199)81-160(41,120-200)80-158(39,118-198)78-156(37,116-196)76-154(35,114-194)74-152(33,112-192)72-150(31,110-190)70-148(29,108-188)68-146(27,106-186)66-144(25,104-184)64-142(23,102-182)62-140(21,100-180)60-138(19,98-178)58-136(17,96-176)56-134(15,94-174)54-132(13,92-172)52-130(11,90-170)50-128(9,88-168)48-126(7,86-166)46-124(5,84-164)44-122(2,3)82-162;;/h121H,42,44-81H2,1-41H3;2*1H4
InChIKeyOXCYTOTXZRFKPQ-UHFFFAOYSA-N
XLogP38.32
TPSA951.60 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds78
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002717.74
LogP ≤ 538.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile?
The IUPAC name of methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile (CID 123283380) is methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile.
What is the SMILES notation for methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile?
The canonical SMILES for methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile is C.C.CC(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC(C)(C)C#N.
What is the InChIKey of methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile?
The InChIKey is OXCYTOTXZRFKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H202N40.2CH4/c1-121(43-161)42-123(4,83-163)45-125(6,85-165)47-127(8,87-167)49-129(10,89-169)51-131(12,91-171)53-133(14,93-173)55-135(16,95-175)57-137(18,97-177)59-139(20,99-179)61-141(22,101-181)63-143(24,103-183)65-145(26,105-185)67-147(28,107-187)69-149(30,109-189)71-151(32,111-191)73-153(34,113-193)75-155(36,115-195)77-157(38,117-197)79-159(40,119-199)81-160(41,120-200)80-158(39,118-198)78-156(37,116-196)76-154(35,114-194)74-152(33,112-192)72-150(31,110-190)70-148(29,108-188)68-146(27,106-186)66-144(25,104-184)64-142(23,102-182)62-140(21,100-180)60-138(19,98-178)58-136(17,96-176)56-134(15,94-174)54-132(13,92-172)52-130(11,90-170)50-128(9,88-168)48-126(7,86-166)46-124(5,84-164)44-122(2,3)82-162;;/h121H,42,44-81H2,1-41H3;2*1H4.
What are the key properties of methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile?
methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile has a molecular weight of 2717.74 g/mol, XLogP of 38.32, 78 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77-tetracontamethyloctacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-tetracontacarbonitrile is sourced from PubChem (CID 123283380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).