2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene

C28H34N6 — CID 170378864

IUPAC2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene
SMILESCC1C2=C(N(C)C3=C1C(C)c1ccccc1N3C)N(C)C1=C(C2C)N(C)c2cccnc2N1C
InChIInChI=1S/C28H34N6/c1-16-19-12-9-10-13-20(19)31(5)26-22(16)17(2)23-18(3)24-28(34(8)27(23)33(26)7)32(6)25-21(30(24)4)14-11-15-29-25/h9-18H,1-8H3
InChIKeyDJKJPRVRLQJRGV-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.98
Rot. Bonds

About 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene

2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene (PubChem CID 170378864) has the molecular formula C28H34N6 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene.

Molecular Properties

Compound Name2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene
PubChem CID170378864
Molecular FormulaC28H34N6
Molecular Weight454.62 g/mol
Exact Mass454.28
IUPAC Name2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene
SMILESCC1C2=C(N(C)C3=C1C(C)c1ccccc1N3C)N(C)C1=C(C2C)N(C)c2cccnc2N1C
InChIInChI=1S/C28H34N6/c1-16-19-12-9-10-13-20(19)31(5)26-22(16)17(2)23-18(3)24-28(34(8)27(23)33(26)7)32(6)25-21(30(24)4)14-11-15-29-25/h9-18H,1-8H3
InChIKeyDJKJPRVRLQJRGV-UHFFFAOYSA-N
XLogP4.98
TPSA29.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene?
The IUPAC name of 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene (CID 170378864) is 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene.
What is the SMILES notation for 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene?
The canonical SMILES for 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene is CC1C2=C(N(C)C3=C1C(C)c1ccccc1N3C)N(C)C1=C(C2C)N(C)c2cccnc2N1C.
What is the InChIKey of 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene?
The InChIKey is DJKJPRVRLQJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6/c1-16-19-12-9-10-13-20(19)31(5)26-22(16)17(2)23-18(3)24-28(34(8)27(23)33(26)7)32(6)25-21(30(24)4)14-11-15-29-25/h9-18H,1-8H3.
What are the key properties of 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene?
2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene has a molecular weight of 454.62 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,11,13,15,17,24,26-octamethyl-2,4,6,11,24,26-hexazahexacyclo[12.12.0.03,12.05,10.016,25.018,23]hexacosa-1(14),3(12),5(10),6,8,16(25),18,20,22-nonaene is sourced from PubChem (CID 170378864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).