15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

C39H27N5 — CID 122524092

IUPAC15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccc3ncccc3c2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C39H27N5/c1-39(2)30-21-22-31-28(17-11-23-40-31)33(30)29-20-19-27-26-16-9-10-18-32(26)44(35(27)34(29)39)38-42-36(24-12-5-3-6-13-24)41-37(43-38)25-14-7-4-8-15-25/h3-23H,1-2H3
InChIKeyMAXZYOAGFVXWOR-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.16
Rot. Bonds3

About 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (PubChem CID 122524092) has the molecular formula C39H27N5 and a molecular weight of 565.68 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
PubChem CID122524092
Molecular FormulaC39H27N5
Molecular Weight565.68 g/mol
Exact Mass565.23
IUPAC Name15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccc3ncccc3c2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C39H27N5/c1-39(2)30-21-22-31-28(17-11-23-40-31)33(30)29-20-19-27-26-16-9-10-18-32(26)44(35(27)34(29)39)38-42-36(24-12-5-3-6-13-24)41-37(43-38)25-14-7-4-8-15-25/h3-23H,1-2H3
InChIKeyMAXZYOAGFVXWOR-UHFFFAOYSA-N
XLogP9.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

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-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
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
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
12,12-dimethyl-15-pyridin-2-yl-15-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 122464128
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15,15-dimethyl-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 145299777
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
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-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (CID 122524092) is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccc3ncccc3c2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.
What is the InChIKey of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The InChIKey is MAXZYOAGFVXWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N5/c1-39(2)30-21-22-31-28(17-11-23-40-31)33(30)29-20-19-27-26-16-9-10-18-32(26)44(35(27)34(29)39)38-42-36(24-12-5-3-6-13-24)41-37(43-38)25-14-7-4-8-15-25/h3-23H,1-2H3.
What are the key properties of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene has a molecular weight of 565.68 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122524092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).