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

C51H37N5O — CID 126678107

IUPAC11-[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
SMILESc1ccc(C2NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6cc54)c3)N2)cc1
InChIInChI=1S/C51H37N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-19-14-22-36(29-34)55-43-25-12-10-23-37(43)41-30-42-39-27-28-40-38-24-11-13-26-46(38)57-48(40)47(39)56(45(42)31-44(41)55)35-20-8-3-9-21-35/h1-31,49-54H
InChIKeyYPGGSULJVCUJIZ-UHFFFAOYSA-N
MW735.89 g/mol
LogP11.96
Rot. Bonds5

About 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

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 (PubChem CID 126678107) has the molecular formula C51H37N5O and a molecular weight of 735.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID126678107
Molecular FormulaC51H37N5O
Molecular Weight735.89 g/mol
Exact Mass735.30
IUPAC Name11-[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
SMILESc1ccc(C2NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6cc54)c3)N2)cc1
InChIInChI=1S/C51H37N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-19-14-22-36(29-34)55-43-25-12-10-23-37(43)41-30-42-39-27-28-40-38-24-11-13-26-46(38)57-48(40)47(39)56(45(42)31-44(41)55)35-20-8-3-9-21-35/h1-31,49-54H
InChIKeyYPGGSULJVCUJIZ-UHFFFAOYSA-N
XLogP11.96
TPSA59.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 511.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

5-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677982
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)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 118546060
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)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 129141926
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-[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
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 163467703
12-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole
CID 145085216
3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazinan-1-ium-2-yl]benzonitrile
CID 146704842

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc6c7ccc8c9ccccc9oc8c7n(-c7ccccc7)c6cc54)c3)N2)cc1.
What is the InChIKey of 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?
The InChIKey is YPGGSULJVCUJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5O/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-19-14-22-36(29-34)55-43-25-12-10-23-37(43)41-30-42-39-27-28-40-38-24-11-13-26-46(38)57-48(40)47(39)56(45(42)31-44(41)55)35-20-8-3-9-21-35/h1-31,49-54H.
What are the key properties of 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?
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 has a molecular weight of 735.89 g/mol, XLogP of 11.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126678107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).