4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene

C26H24N4 — CID 135961561

IUPAC4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene
SMILESCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C=CC=5)C(C)=C4C)C=CC=3
InChIInChI=1S/C26H24N4/c1-15-16(2)24-12-20-8-6-10-22(28-20)14-26-18(4)17(3)25(30-26)13-21-9-5-7-19(27-21)11-23(15)29-24/h5-14,27-28H,1-4H3/b19-11-,20-12+,21-13+,22-14+,23-11-,24-12-,25-13+,26-14-
InChIKeyFZAWWGJKSXQUKX-JDPIGEBVSA-N
MW392.51 g/mol
LogP4.65
Rot. Bonds

About 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene

4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene (PubChem CID 135961561) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene.

Molecular Properties

Compound Name4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene
PubChem CID135961561
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene
SMILESCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C=CC=5)C(C)=C4C)C=CC=3
InChIInChI=1S/C26H24N4/c1-15-16(2)24-12-20-8-6-10-22(28-20)14-26-18(4)17(3)25(30-26)13-21-9-5-7-19(27-21)11-23(15)29-24/h5-14,27-28H,1-4H3/b19-11-,20-12+,21-13+,22-14+,23-11-,24-12-,25-13+,26-14-
InChIKeyFZAWWGJKSXQUKX-JDPIGEBVSA-N
XLogP4.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene?
The IUPAC name of 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene (CID 135961561) is 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene.
What is the SMILES notation for 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene?
The canonical SMILES for 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene is CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C=CC=5)C(C)=C4C)C=CC=3.
What is the InChIKey of 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene?
The InChIKey is FZAWWGJKSXQUKX-JDPIGEBVSA-N. The full InChI is InChI=1S/C26H24N4/c1-15-16(2)24-12-20-8-6-10-22(28-20)14-26-18(4)17(3)25(30-26)13-21-9-5-7-19(27-21)11-23(15)29-24/h5-14,27-28H,1-4H3/b19-11-,20-12+,21-13+,22-14+,23-11-,24-12-,25-13+,26-14-.
What are the key properties of 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene?
4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene has a molecular weight of 392.51 g/mol, XLogP of 4.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,15,16-tetramethyl-23,24,25,26-tetrazapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1,3(26),4,6,8,10,12,14(24),15,17,19,21-dodecaene is sourced from PubChem (CID 135961561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).