4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene

C37H38N4 — CID 11307219

IUPAC4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene
SMILESCCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC)c5C)c1c4CCc2ccccc2-1)C(CC)=C3C
InChIInChI=1S/C37H38N4/c1-7-24-20(4)29-16-30-21(5)25(8-2)34(39-30)19-35-28-15-14-23-12-10-11-13-27(23)37(28)36(41-35)17-31-22(6)26(9-3)33(40-31)18-32(24)38-29/h10-13,16-19,40-41H,7-9,14-15H2,1-6H3/b29-16+,30-16+,31-17+,32-18-,33-18+,34-19-,35-19-,36-17-
InChIKeyZCOXIGDFGSHFDE-UDIQDGGFSA-N
MW538.74 g/mol
LogP9.63
Rot. Bonds3

About 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene

4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene (PubChem CID 11307219) has the molecular formula C37H38N4 and a molecular weight of 538.74 g/mol. Its IUPAC name is 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene.

Molecular Properties

Compound Name4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene
PubChem CID11307219
Molecular FormulaC37H38N4
Molecular Weight538.74 g/mol
Exact Mass538.31
IUPAC Name4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene
SMILESCCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC)c5C)c1c4CCc2ccccc2-1)C(CC)=C3C
InChIInChI=1S/C37H38N4/c1-7-24-20(4)29-16-30-21(5)25(8-2)34(39-30)19-35-28-15-14-23-12-10-11-13-27(23)37(28)36(41-35)17-31-22(6)26(9-3)33(40-31)18-32(24)38-29/h10-13,16-19,40-41H,7-9,14-15H2,1-6H3/b29-16+,30-16+,31-17+,32-18-,33-18+,34-19-,35-19-,36-17-
InChIKeyZCOXIGDFGSHFDE-UDIQDGGFSA-N
XLogP9.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 59.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene with MolForge

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Related Compounds

4,9,14-triethyl-5,10,15-trimethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21,23-tridecaene
CID 102210129
4,9,14-triethyl-5,10,15-trimethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,10,12,14,16(26),17,19(24)-undecaene
CID 10074330
5,9,14,18-tetraethyl-4,10,13,19-tetramethyl-34,36,37,38,39-pentazanonacyclo[20.11.1.13,6.18,11.112,15.117,20.124,28.023,33.032,35]nonatriaconta-1(33),2,4,6(39),7,9,11,13,15,17(36),18,20,22,24,26,28(35),29,31-octadecaene
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3,12-diethyl-2,7,13,17,18-pentamethyl-21,22-dihydroporphyrin
CID 177428667
4,15-dibutyl-9,10-diethyl-5,14-dimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.021,26]dotriaconta-1(29),2,4,6,8,10,12,14,16(30),17,19(28),21,23,25-tetradecaene
CID 101051528
2,8,12,18-tetraethyl-3,7,13,15,17-pentamethyl-21,22-dihydroporphyrin
CID 635582
4,5,10,14,19,20-hexaethyl-9,15-dimethyl-2,21,22,23,24-pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaene
CID 23404528
5,9,28-triethyl-4,10,27-trimethyl-13,24,29,30,31-pentazahexacyclo[24.2.1.13,6.18,11.014,23.016,21]hentriaconta-1,3(31),4,6,8,10,12,14,16,18,20,22,24,26(29),27-pentadecaene
CID 100971790
4,16-diethyl-5,15-dimethyl-31,33,35-triazaoctacyclo[17.11.1.13,6.18,12.114,17.121,25.020,30.029,32]pentatriaconta-1(30),2,4,6(35),7,10,12(34),13,15,17,19,21,23,25(32),26,28-hexadecaen-9-one
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9,14,18,37,41,46-hexaethyl-8,13,19,25,27,30,36,42,47-nonamethyl-23,32,59,60,61,62,63,64-octazatetradecacyclo[52.3.1.17,10.112,15.117,20.135,38.140,43.145,48.05,57.06,24.022,26.029,33.031,49.050,55]tetrahexaconta-1(57),2,4,6(24),7,9,11,13,15(63),16,18,20,22,25,29(33),30,34,36,38(61),39,41,43,45(59),46,48,50,52,54(58),55-nonacosaene
CID 136634773
3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
CID 137327305
methyl 3-[13,17-diethyl-8-(3-methoxy-3-oxopropyl)-3,7,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate
CID 11801640

Frequently Asked Questions

What is the IUPAC name of 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene?
The IUPAC name of 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene (CID 11307219) is 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene.
What is the SMILES notation for 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene?
The canonical SMILES for 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene is CCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC)c5C)c1c4CCc2ccccc2-1)C(CC)=C3C.
What is the InChIKey of 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene?
The InChIKey is ZCOXIGDFGSHFDE-UDIQDGGFSA-N. The full InChI is InChI=1S/C37H38N4/c1-7-24-20(4)29-16-30-21(5)25(8-2)34(39-30)19-35-28-15-14-23-12-10-11-13-27(23)37(28)36(41-35)17-31-22(6)26(9-3)33(40-31)18-32(24)38-29/h10-13,16-19,40-41H,7-9,14-15H2,1-6H3/b29-16+,30-16+,31-17+,32-18-,33-18+,34-19-,35-19-,36-17-.
What are the key properties of 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene?
4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene has a molecular weight of 538.74 g/mol, XLogP of 9.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,14-triethyl-5,9,15-trimethyl-29,30,31,32-tetrazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(28),2,4,6(32),7,9,11(31),12,14,16,18,20,22,24-tetradecaene is sourced from PubChem (CID 11307219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).