12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C38H26N6 — CID 122525260

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c4c5ncncc5ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C38H26N6/c1-38(2)29-16-10-9-15-26(29)27-18-19-28-31-30(20-17-25-21-39-22-40-33(25)31)44(34(28)32(27)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyVINBXMLYNZSQMJ-UHFFFAOYSA-N
MW566.67 g/mol
LogP8.55
Rot. Bonds3

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 122525260) has the molecular formula C38H26N6 and a molecular weight of 566.67 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID122525260
Molecular FormulaC38H26N6
Molecular Weight566.67 g/mol
Exact Mass566.22
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c4c5ncncc5ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C38H26N6/c1-38(2)29-16-10-9-15-26(29)27-18-19-28-31-30(20-17-25-21-39-22-40-33(25)31)44(34(28)32(27)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyVINBXMLYNZSQMJ-UHFFFAOYSA-N
XLogP8.55
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.67
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

12-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 164829441
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[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 122524021
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
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
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-20,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-19,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;24-quinazolin-2-yl-3-oxa-21,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
CID 159733214
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-15-phenyl-4-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),19,21,23,26-dodecaene
CID 163421079
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene
CID 135274257
12-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 163676528
15-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 163892460

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 122525260) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2ccc3c4c5ncncc5ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is VINBXMLYNZSQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6/c1-38(2)29-16-10-9-15-26(29)27-18-19-28-31-30(20-17-25-21-39-22-40-33(25)31)44(34(28)32(27)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24/h3-22H,1-2H3.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 566.67 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-4,6,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122525260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).