15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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

C45H27N5O — CID 140957587

IUPAC15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5oc6ccccc6c5c4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-35-26-27-38-41(32-21-11-13-23-37(32)51-38)39(35)33-24-25-36-40(42(33)50)31-20-10-12-22-34(31)49(36)30-18-8-3-9-19-30/h1-27H
InChIKeyQUXGBWMVFFLJHG-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.30
Rot. Bonds4

About 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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 (PubChem CID 140957587) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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.

Molecular Properties

Compound Name15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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
PubChem CID140957587
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5oc6ccccc6c5c4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-35-26-27-38-41(32-21-11-13-23-37(32)51-38)39(35)33-24-25-36-40(42(33)50)31-20-10-12-22-34(31)49(36)30-18-8-3-9-19-30/h1-27H
InChIKeyQUXGBWMVFFLJHG-UHFFFAOYSA-N
XLogP11.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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 with MolForge

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Related Compounds

15,24-diphenyl-10-oxa-15,24-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
CID 126679108
14-[3-(4,6-diphenyl-1,3,5-triazin-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 147983982
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-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
CID 126678269
4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965374
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-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
CID 166592067
17-carbazol-9-yl-14-[3-(4,6-diphenyl-1,3,5-triazin-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(20),16,18-nonaene
CID 155006812
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 159521551
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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?
The IUPAC name of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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 (CID 140957587) is 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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.
What is the SMILES notation for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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?
The canonical SMILES for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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 is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5oc6ccccc6c5c4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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?
The InChIKey is QUXGBWMVFFLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-4-14-28(15-5-1)43-46-44(29-16-6-2-7-17-29)48-45(47-43)50-35-26-27-38-41(32-21-11-13-23-37(32)51-38)39(35)33-24-25-36-40(42(33)50)31-20-10-12-22-34(31)49(36)30-18-8-3-9-19-30/h1-27H.
What are the key properties of 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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 has a molecular weight of 653.75 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-10-oxa-15,24-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 is sourced from PubChem (CID 140957587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).