2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene

C24H50N10 — CID 51003034

IUPAC2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene
SMILESCC1=N/CCNCCNCCNCC/N=C(C)/C(C)=N\CCNCCNCCNCC\N=C\1C
InChIInChI=1S/C24H50N10/c1-21-22(2)32-18-14-28-10-6-26-8-12-30-16-20-34-24(4)23(3)33-19-15-29-11-7-25-5-9-27-13-17-31-21/h25-30H,5-20H2,1-4H3/b31-21-,32-22+,33-23+,34-24-
InChIKeyIDMGUEBLKWKCMQ-FYNGTMJJSA-N
MW478.73 g/mol
LogP-0.62
Rot. Bonds

About 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene

2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene (PubChem CID 51003034) has the molecular formula C24H50N10 and a molecular weight of 478.73 g/mol. Its IUPAC name is 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene.

Molecular Properties

Compound Name2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene
PubChem CID51003034
Molecular FormulaC24H50N10
Molecular Weight478.73 g/mol
Exact Mass478.42
IUPAC Name2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene
SMILESCC1=N/CCNCCNCCNCC/N=C(C)/C(C)=N\CCNCCNCCNCC\N=C\1C
InChIInChI=1S/C24H50N10/c1-21-22(2)32-18-14-28-10-6-26-8-12-30-16-20-34-24(4)23(3)33-19-15-29-11-7-25-5-9-27-13-17-31-21/h25-30H,5-20H2,1-4H3/b31-21-,32-22+,33-23+,34-24-
InChIKeyIDMGUEBLKWKCMQ-FYNGTMJJSA-N
XLogP-0.62
TPSA121.62 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.73
LogP ≤ 5-0.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene?
The IUPAC name of 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene (CID 51003034) is 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene.
What is the SMILES notation for 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene?
The canonical SMILES for 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene is CC1=N/CCNCCNCCNCC/N=C(C)/C(C)=N\CCNCCNCCNCC\N=C\1C.
What is the InChIKey of 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene?
The InChIKey is IDMGUEBLKWKCMQ-FYNGTMJJSA-N. The full InChI is InChI=1S/C24H50N10/c1-21-22(2)32-18-14-28-10-6-26-8-12-30-16-20-34-24(4)23(3)33-19-15-29-11-7-25-5-9-27-13-17-31-21/h25-30H,5-20H2,1-4H3/b31-21-,32-22+,33-23+,34-24-.
What are the key properties of 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene?
2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene has a molecular weight of 478.73 g/mol, XLogP of -0.62, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,17,18-tetramethyl-1,4,7,10,13,16,19,22,25,28-decazacyclotriaconta-1,3,16,18-tetraene is sourced from PubChem (CID 51003034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).