24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

C28H20N4 — CID 122464216

IUPAC24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
SMILESCC1(C)c2cc3ccccc3cc2-c2ccc3c4ccccc4n(-c4ncncn4)c3c21
InChIInChI=1S/C28H20N4/c1-28(2)23-14-18-8-4-3-7-17(18)13-22(23)20-11-12-21-19-9-5-6-10-24(19)32(26(21)25(20)28)27-30-15-29-16-31-27/h3-16H,1-2H3
InChIKeyLOKKDIWYKXXAKY-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.43
Rot. Bonds1

About 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 122464216) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
PubChem CID122464216
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
SMILESCC1(C)c2cc3ccccc3cc2-c2ccc3c4ccccc4n(-c4ncncn4)c3c21
InChIInChI=1S/C28H20N4/c1-28(2)23-14-18-8-4-3-7-17(18)13-22(23)20-11-12-21-19-9-5-6-10-24(19)32(26(21)25(20)28)27-30-15-29-16-31-27/h3-16H,1-2H3
InChIKeyLOKKDIWYKXXAKY-UHFFFAOYSA-N
XLogP6.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene with MolForge

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Related Compounds

12,12-dimethyl-16-(1,3,5-triazin-2-yl)-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 122464208
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
14,14-dimethyl-9-(1,3,5-triazin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1,3,5-triazin-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1,3,5-triazin-2-yl)indeno[2,1-b]carbazole;12,12-dimethyl-5-(1,3,5-triazin-2-yl)indeno[1,2-c]carbazole
CID 160620108
12,12-dimethyl-23-(1,3,5-triazin-2-yl)-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122464207
11,12-bis(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 58038296
3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122524244
3-dibenzothiophen-4-yl-24,24-dimethyl-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122524240
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
CID 135273811
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
2-[8-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-8-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
CID 158165732

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The IUPAC name of 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (CID 122464216) is 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.
What is the SMILES notation for 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The canonical SMILES for 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is CC1(C)c2cc3ccccc3cc2-c2ccc3c4ccccc4n(-c4ncncn4)c3c21.
What is the InChIKey of 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The InChIKey is LOKKDIWYKXXAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4/c1-28(2)23-14-18-8-4-3-7-17(18)13-22(23)20-11-12-21-19-9-5-6-10-24(19)32(26(21)25(20)28)27-30-15-29-16-31-27/h3-16H,1-2H3.
What are the key properties of 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 412.50 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 122464216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).