11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

C39H24N4O2 — CID 118312871

IUPAC11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)oc3cc4c(cc35)oc3ccccc34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C39H24N4O2/c1-3-11-23(12-4-1)37-40-38(24-13-5-2-6-14-24)42-39(41-37)43-31-17-9-7-15-25(31)27-19-28-30-21-34-29(26-16-8-10-18-33(26)44-34)20-35(30)45-36(28)22-32(27)43/h1-22,39H,(H,40,41,42)
InChIKeyZVVCIBLTOTVOJM-UHFFFAOYSA-N
MW580.65 g/mol
LogP9.55
Rot. Bonds3

About 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene

11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene (PubChem CID 118312871) has the molecular formula C39H24N4O2 and a molecular weight of 580.65 g/mol. Its IUPAC name is 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene.

Molecular Properties

Compound Name11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
PubChem CID118312871
Molecular FormulaC39H24N4O2
Molecular Weight580.65 g/mol
Exact Mass580.19
IUPAC Name11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)oc3cc4c(cc35)oc3ccccc34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C39H24N4O2/c1-3-11-23(12-4-1)37-40-38(24-13-5-2-6-14-24)42-39(41-37)43-31-17-9-7-15-25(31)27-19-28-30-21-34-29(26-16-8-10-18-33(26)44-34)20-35(30)45-36(28)22-32(27)43/h1-22,39H,(H,40,41,42)
InChIKeyZVVCIBLTOTVOJM-UHFFFAOYSA-N
XLogP9.55
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.65
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene 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

7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 163775773
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 90247491
7-(3-phenylphenyl)-5-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 166961159
5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
CID 142405077
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 155028598
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
7-[3-(5-phenyl-3H-1,2,4-triazol-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 118449317
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
9-[2-dibenzofuran-3-yl-5,6-dimethyl-7-[4-(3-phenylphenyl)phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-4-yl]carbazole
CID 174245249

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
The IUPAC name of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene (CID 118312871) is 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene.
What is the SMILES notation for 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
The canonical SMILES for 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene is c1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)oc3cc4c(cc35)oc3ccccc34)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
The InChIKey is ZVVCIBLTOTVOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O2/c1-3-11-23(12-4-1)37-40-38(24-13-5-2-6-14-24)42-39(41-37)43-31-17-9-7-15-25(31)27-19-28-30-21-34-29(26-16-8-10-18-33(26)44-34)20-35(30)45-36(28)22-32(27)43/h1-22,39H,(H,40,41,42).
What are the key properties of 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene?
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene has a molecular weight of 580.65 g/mol, XLogP of 9.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene is sourced from PubChem (CID 118312871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).