5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine

C27H27N9 — CID 159216096

IUPAC5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine
SMILESCN(C)c1ccc2nc3n(c2c1)c1nc2ccc(N(C)C)cc2n1c1nc2ccc(N(C)C)cc2n31
InChIInChI=1S/C27H27N9/c1-31(2)16-7-10-19-22(13-16)34-25(28-19)35-24-15-18(33(5)6)9-12-21(24)30-27(35)36-23-14-17(32(3)4)8-11-20(23)29-26(34)36/h7-15H,1-6H3
InChIKeyOKWOOWZBTRVUTB-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.29
Rot. Bonds3

About 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine

5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine (PubChem CID 159216096) has the molecular formula C27H27N9 and a molecular weight of 477.58 g/mol. Its IUPAC name is 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine.

Molecular Properties

Compound Name5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine
PubChem CID159216096
Molecular FormulaC27H27N9
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine
SMILESCN(C)c1ccc2nc3n(c2c1)c1nc2ccc(N(C)C)cc2n1c1nc2ccc(N(C)C)cc2n31
InChIInChI=1S/C27H27N9/c1-31(2)16-7-10-19-22(13-16)34-25(28-19)35-24-15-18(33(5)6)9-12-21(24)30-27(35)36-23-14-17(32(3)4)8-11-20(23)29-26(34)36/h7-15H,1-6H3
InChIKeyOKWOOWZBTRVUTB-UHFFFAOYSA-N
XLogP4.29
TPSA61.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-N,N,4-trimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 71153332
N,N,2-trimethylpyrazolo[1,5-a]quinoxalin-8-amine
CID 12746713
2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
CID 46832728
7-(dimethylamino)-1-methylquinoline-2-thione
CID 23468241
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
N,N-dimethylpyrido[1,2-a]benzimidazol-3-amine
CID 142743723
6-N,6-N-dimethylquinoxaline-2,6-diamine
CID 119094969
2-bromo-N,N-dimethyl-1,3-benzoxazol-6-amine
CID 83382789
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide
CID 18730896
4-N-(2,6-dimethylphenyl)-8-N,8-N-dimethylimidazo[1,5-a]quinoxaline-4,8-diamine
CID 59956406

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine?
The IUPAC name of 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine (CID 159216096) is 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine.
What is the SMILES notation for 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine?
The canonical SMILES for 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine is CN(C)c1ccc2nc3n(c2c1)c1nc2ccc(N(C)C)cc2n1c1nc2ccc(N(C)C)cc2n31.
What is the InChIKey of 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine?
The InChIKey is OKWOOWZBTRVUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9/c1-31(2)16-7-10-19-22(13-16)34-25(28-19)35-24-15-18(33(5)6)9-12-21(24)30-27(35)36-23-14-17(32(3)4)8-11-20(23)29-26(34)36/h7-15H,1-6H3.
What are the key properties of 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine?
5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine has a molecular weight of 477.58 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine is sourced from PubChem (CID 159216096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).