15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene

C46H32N4O — CID 137095920

IUPAC15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene
SMILESC1=Cc2oc3ccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n(C5=NC(c6ccccc6)=CC(c6ccccc6)N5)c4c3c2CC1
InChIInChI=1S/C46H32N4O/c1-4-14-29(15-5-1)37-28-38(30-16-6-2-7-17-30)48-46(47-37)50-43-34(26-27-41-42(43)36-21-11-13-23-40(36)51-41)35-25-24-33-32-20-10-12-22-39(32)49(44(33)45(35)50)31-18-8-3-9-19-31/h1-10,12-20,22-28,37H,11,21H2,(H,47,48)
InChIKeyLOLFMOCUEUPJBL-UHFFFAOYSA-N
MW656.79 g/mol
LogP11.19
Rot. Bonds3

About 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene

15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene (PubChem CID 137095920) has the molecular formula C46H32N4O and a molecular weight of 656.79 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene.

Molecular Properties

Compound Name15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene
PubChem CID137095920
Molecular FormulaC46H32N4O
Molecular Weight656.79 g/mol
Exact Mass656.26
IUPAC Name15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene
SMILESC1=Cc2oc3ccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n(C5=NC(c6ccccc6)=CC(c6ccccc6)N5)c4c3c2CC1
InChIInChI=1S/C46H32N4O/c1-4-14-29(15-5-1)37-28-38(30-16-6-2-7-17-30)48-46(47-37)50-43-34(26-27-41-42(43)36-21-11-13-23-40(36)51-41)35-25-24-33-32-20-10-12-22-39(32)49(44(33)45(35)50)31-18-8-3-9-19-31/h1-10,12-20,22-28,37H,11,21H2,(H,47,48)
InChIKeyLOLFMOCUEUPJBL-UHFFFAOYSA-N
XLogP11.19
TPSA47.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 511.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene 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

15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 137095933
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 167138039
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-7,8-dihydroindolo[2,3-a]carbazole
CID 134240137
12-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 167200852
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 163544852
16-[3-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 137047687
12-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-a]carbazole
CID 163492773
20-[3-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 144645274

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene?
The IUPAC name of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene (CID 137095920) is 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene.
What is the SMILES notation for 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene?
The canonical SMILES for 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene is C1=Cc2oc3ccc4c5ccc6c7ccccc7n(-c7ccccc7)c6c5n(C5=NC(c6ccccc6)=CC(c6ccccc6)N5)c4c3c2CC1.
What is the InChIKey of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene?
The InChIKey is LOLFMOCUEUPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O/c1-4-14-29(15-5-1)37-28-38(30-16-6-2-7-17-30)48-46(47-37)50-43-34(26-27-41-42(43)36-21-11-13-23-40(36)51-41)35-25-24-33-32-20-10-12-22-39(32)49(44(33)45(35)50)31-18-8-3-9-19-31/h1-10,12-20,22-28,37H,11,21H2,(H,47,48).
What are the key properties of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene?
15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene has a molecular weight of 656.79 g/mol, XLogP of 11.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-12-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),21,26-undecaene is sourced from PubChem (CID 137095920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).