24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

C45H33N5O — CID 126680116

IUPAC24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(C2NC(c3ccccc3)NC(n3c4ccccc4c4c5c(ccc43)c3cc4c(cc3n5-c3ccccc3)oc3ccccc34)N2)cc1
InChIInChI=1S/C45H33N5O/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-36-22-12-10-21-33(36)41-37(50)25-24-32-34-26-35-31-20-11-13-23-39(31)51-40(35)27-38(34)49(42(32)41)30-18-8-3-9-19-30/h1-27,43-48H
InChIKeyBOPCJPJOYODRIG-UHFFFAOYSA-N
MW659.79 g/mol
LogP10.43
Rot. Bonds4

About 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene

24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126680116) has the molecular formula C45H33N5O and a molecular weight of 659.79 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
PubChem CID126680116
Molecular FormulaC45H33N5O
Molecular Weight659.79 g/mol
Exact Mass659.27
IUPAC Name24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(C2NC(c3ccccc3)NC(n3c4ccccc4c4c5c(ccc43)c3cc4c(cc3n5-c3ccccc3)oc3ccccc34)N2)cc1
InChIInChI=1S/C45H33N5O/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-36-22-12-10-21-33(36)41-37(50)25-24-32-34-26-35-31-20-11-13-23-39(31)51-40(35)27-38(34)49(42(32)41)30-18-8-3-9-19-30/h1-27,43-48H
InChIKeyBOPCJPJOYODRIG-UHFFFAOYSA-N
XLogP10.43
TPSA59.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 510.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

25-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 126680118
15-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-10-phenyl-25-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene
CID 126677995
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126678107
24-[6-(4,6-diphenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679083
15-[4-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 137095897
4,15-diphenyl-25-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene;10,15-diphenyl-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene;15,18-diphenyl-11-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15,25-diphenyl-4-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
CID 158966699
9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5,7-diphenyl-7H-indeno[2,1-b]carbazole;bis(5,12-diphenylindolo[3,2-c]carbazole);11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 158407162
14-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 145390759
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291167
9-dibenzofuran-1-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 122465457
5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339961

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126680116) is 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(C2NC(c3ccccc3)NC(n3c4ccccc4c4c5c(ccc43)c3cc4c(cc3n5-c3ccccc3)oc3ccccc34)N2)cc1.
What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
The InChIKey is BOPCJPJOYODRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N5O/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-36-22-12-10-21-33(36)41-37(50)25-24-32-34-26-35-31-20-11-13-23-39(31)51-40(35)27-38(34)49(42(32)41)30-18-8-3-9-19-30/h1-27,43-48H.
What are the key properties of 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene?
24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 659.79 g/mol, XLogP of 10.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126680116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).