1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine

C52H46N2O3 — CID 155644810

IUPAC1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2cc(-c3cccc5c3oc3ccccc35)c3oc5cc6cc(N7CC(C)CC(C)C7)ccc6cc5c3c24)C1
InChIInChI=1S/C52H46N2O3/c1-29-16-30(2)26-53(25-29)37-14-12-33-20-43-46(22-35(33)18-37)55-48-24-42(41-10-7-9-40-39-8-5-6-11-45(39)56-51(40)41)52-50(49(43)48)44-21-34-13-15-38(19-36(34)23-47(44)57-52)54-27-31(3)17-32(4)28-54/h5-15,18-24,29-32H,16-17,25-28H2,1-4H3
InChIKeyYWUGBKXRCMWBJJ-UHFFFAOYSA-N
MW746.95 g/mol
LogP14.32
Rot. Bonds3

About 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine

1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine (PubChem CID 155644810) has the molecular formula C52H46N2O3 and a molecular weight of 746.95 g/mol. Its IUPAC name is 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
PubChem CID155644810
Molecular FormulaC52H46N2O3
Molecular Weight746.95 g/mol
Exact Mass746.35
IUPAC Name1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2cc(-c3cccc5c3oc3ccccc35)c3oc5cc6cc(N7CC(C)CC(C)C7)ccc6cc5c3c24)C1
InChIInChI=1S/C52H46N2O3/c1-29-16-30(2)26-53(25-29)37-14-12-33-20-43-46(22-35(33)18-37)55-48-24-42(41-10-7-9-40-39-8-5-6-11-45(39)56-51(40)41)52-50(49(43)48)44-21-34-13-15-38(19-36(34)23-47(44)57-52)54-27-31(3)17-32(4)28-54/h5-15,18-24,29-32H,16-17,25-28H2,1-4H3
InChIKeyYWUGBKXRCMWBJJ-UHFFFAOYSA-N
XLogP14.32
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine with MolForge

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Related Compounds

1-[23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
CID 155360353
1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine
CID 155362567
1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine
CID 155361067
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170939967
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
1-[15,16-diphenyl-23-(4-propan-2-ylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl]-4-propan-2-ylpiperidine
CID 155361083
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374848
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163742846
2,5-di(dibenzofuran-4-yl)-1,4-dinaphthalen-2-ylpyrrolo[3,2-b]pyrrole
CID 145348052
3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161417407
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-di(dibenzofuran-4-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362763

Frequently Asked Questions

What is the IUPAC name of 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine (CID 155644810) is 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine is CC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2cc(-c3cccc5c3oc3ccccc35)c3oc5cc6cc(N7CC(C)CC(C)C7)ccc6cc5c3c24)C1.
What is the InChIKey of 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine?
The InChIKey is YWUGBKXRCMWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N2O3/c1-29-16-30(2)26-53(25-29)37-14-12-33-20-43-46(22-35(33)18-37)55-48-24-42(41-10-7-9-40-39-8-5-6-11-45(39)56-51(40)41)52-50(49(43)48)44-21-34-13-15-38(19-36(34)23-47(44)57-52)54-27-31(3)17-32(4)28-54/h5-15,18-24,29-32H,16-17,25-28H2,1-4H3.
What are the key properties of 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine?
1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine has a molecular weight of 746.95 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine is sourced from PubChem (CID 155644810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).