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

C33H38N4 — CID 10074330

IUPAC4,9,14-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
SMILESCCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4CC)C1=C3CCCC1
InChIInChI=1S/C33H38N4/c1-7-21-18(4)26-14-30-22(8-2)19(5)28(35-30)16-32-24-12-10-11-13-25(24)33(37-32)17-31-23(9-3)20(6)27(36-31)15-29(21)34-26/h14-17,34,36H,7-13H2,1-6H3/b26-14-,27-15-,28-16-,29-15-,30-14-,31-17-,32-16-,33-17-
InChIKeyMXQZERBWEZFUGT-SXWJZWMKSA-N
MW490.70 g/mol
LogP8.88
Rot. Bonds3

About 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

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 (PubChem CID 10074330) has the molecular formula C33H38N4 and a molecular weight of 490.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,9,14-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
PubChem CID10074330
Molecular FormulaC33H38N4
Molecular Weight490.70 g/mol
Exact Mass490.31
IUPAC Name4,9,14-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
SMILESCCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4CC)C1=C3CCCC1
InChIInChI=1S/C33H38N4/c1-7-21-18(4)26-14-30-22(8-2)19(5)28(35-30)16-32-24-12-10-11-13-25(24)33(37-32)17-31-23(9-3)20(6)27(36-31)15-29(21)34-26/h14-17,34,36H,7-13H2,1-6H3/b26-14-,27-15-,28-16-,29-15-,30-14-,31-17-,32-16-,33-17-
InChIKeyMXQZERBWEZFUGT-SXWJZWMKSA-N
XLogP8.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.70
LogP ≤ 58.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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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
4,10,14-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
3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
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2,4',13,15'-tetraethyl-3,5',12,14'-tetramethyl-17-methylidenespiro[21,22-dihydroporphyrin-18,21'-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19(24)-undecaene]
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3,7,12,18-tetrabutyl-2,8,13,17-tetramethyl-21,22-dihydroporphyrin
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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
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CID 173357328
3-[18-(2-carboxylatoethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate;manganese(2+)
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4CC)C1=C3CCCC1.
What is the InChIKey of 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?
The InChIKey is MXQZERBWEZFUGT-SXWJZWMKSA-N. The full InChI is InChI=1S/C33H38N4/c1-7-21-18(4)26-14-30-22(8-2)19(5)28(35-30)16-32-24-12-10-11-13-25(24)33(37-32)17-31-23(9-3)20(6)27(36-31)15-29(21)34-26/h14-17,34,36H,7-13H2,1-6H3/b26-14-,27-15-,28-16-,29-15-,30-14-,31-17-,32-16-,33-17-.
What are the key properties of 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?
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 has a molecular weight of 490.70 g/mol, XLogP of 8.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10074330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).