2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene

C24H28N4 — CID 91589262

IUPAC2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene
SMILESCC1=C2CCC(=C(C)c3ccc([nH]3)C(C)=C3CCC(=C(C)c4cc1c[nH]4)N3)N2
InChIInChI=1S/C24H28N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h7-8,11-12,25-28H,5-6,9-10H2,1-4H3
InChIKeyKZUYTRMRIDWCHD-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.75
Rot. Bonds

About 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene

2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene (PubChem CID 91589262) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene.

Molecular Properties

Compound Name2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene
PubChem CID91589262
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene
SMILESCC1=C2CCC(=C(C)c3ccc([nH]3)C(C)=C3CCC(=C(C)c4cc1c[nH]4)N3)N2
InChIInChI=1S/C24H28N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h7-8,11-12,25-28H,5-6,9-10H2,1-4H3
InChIKeyKZUYTRMRIDWCHD-UHFFFAOYSA-N
XLogP5.75
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene with MolForge

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Related Compounds

(7Z,18Z)-2,2,7,8,13,13,18,19-octamethyl-23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 139038082
ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine
CID 144790724
2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 91265450
4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine
CID 135526581
3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole
CID 102186153
4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 66617181
4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 67534335
1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 118529858
5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206
6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine
CID 141011061
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
2-(5-phenyl-1H-pyrrol-3-yl)pyridine
CID 76663027

Frequently Asked Questions

What is the IUPAC name of 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene?
The IUPAC name of 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene (CID 91589262) is 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene.
What is the SMILES notation for 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene?
The canonical SMILES for 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene is CC1=C2CCC(=C(C)c3ccc([nH]3)C(C)=C3CCC(=C(C)c4cc1c[nH]4)N3)N2.
What is the InChIKey of 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene?
The InChIKey is KZUYTRMRIDWCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-13-17-11-24(25-12-17)16(4)23-10-9-22(28-23)15(3)21-8-7-20(27-21)14(2)19-6-5-18(13)26-19/h7-8,11-12,25-28H,5-6,9-10H2,1-4H3.
What are the key properties of 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene?
2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene has a molecular weight of 372.52 g/mol, XLogP of 5.75, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,12,17-tetramethyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,11,13,15,17-octaene is sourced from PubChem (CID 91589262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).