15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one

C105H69N27O8 — CID 159588657

IUPAC15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one
SMILESO=C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2[nH]nc3ncc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1
InChIInChI=1S/C27H18N6O2.3C26H17N7O2/c34-24-14-35-19-4-1-3-16(10-19)20-5-2-6-23-25(20)31-27(30-23)26-21-11-15(7-8-22(21)32-33-26)17-9-18(29-24)13-28-12-17;34-22-13-35-18-4-1-3-14(8-18)19-5-2-6-21-23(19)31-26(30-21)24-20-9-16(11-28-25(20)33-32-24)15-7-17(29-22)12-27-10-15;34-23-13-35-18-3-1-2-15(7-18)20-11-28-12-22-24(20)31-26(30-22)25-19-8-14(4-5-21(19)32-33-25)16-6-17(29-23)10-27-9-16;34-22-13-35-18-3-1-2-15(9-18)23-25-21(6-7-28-23)30-26(31-25)24-19-10-14(4-5-20(19)32-33-24)16-8-17(29-22)12-27-11-16/h1-13H,14H2,(H,29,34)(H,30,31)(H,32,33);1-12H,13H2,(H,29,34)(H,30,31)(H,28,32,33);2*1-12H,13H2,(H,29,34)(H,30,31)(H,32,33)
InChIKeyMJYLIXJHMRDDCT-UHFFFAOYSA-N
MW1836.89 g/mol
LogP18.85
Rot. Bonds

About 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one

15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one (PubChem CID 159588657) has the molecular formula C105H69N27O8 and a molecular weight of 1836.89 g/mol. Its IUPAC name is 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one.

Molecular Properties

Compound Name15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one
PubChem CID159588657
Molecular FormulaC105H69N27O8
Molecular Weight1836.89 g/mol
Exact Mass1835.58
IUPAC Name15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one
SMILESO=C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2[nH]nc3ncc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1
InChIInChI=1S/C27H18N6O2.3C26H17N7O2/c34-24-14-35-19-4-1-3-16(10-19)20-5-2-6-23-25(20)31-27(30-23)26-21-11-15(7-8-22(21)32-33-26)17-9-18(29-24)13-28-12-17;34-22-13-35-18-4-1-3-14(8-18)19-5-2-6-21-23(19)31-26(30-21)24-20-9-16(11-28-25(20)33-32-24)15-7-17(29-22)12-27-10-15;34-23-13-35-18-3-1-2-15(7-18)20-11-28-12-22-24(20)31-26(30-22)25-19-8-14(4-5-21(19)32-33-25)16-6-17(29-23)10-27-9-16;34-22-13-35-18-3-1-2-15(9-18)23-25-21(6-7-28-23)30-26(31-25)24-19-10-14(4-5-20(19)32-33-24)16-8-17(29-22)12-27-11-16/h1-13H,14H2,(H,29,34)(H,30,31)(H,32,33);1-12H,13H2,(H,29,34)(H,30,31)(H,28,32,33);2*1-12H,13H2,(H,29,34)(H,30,31)(H,32,33)
InChIKeyMJYLIXJHMRDDCT-UHFFFAOYSA-N
XLogP18.85
TPSA472.99 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001836.89
LogP ≤ 518.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one with MolForge

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Related Compounds

15-Oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one
CID 153295744
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136937033
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136937038
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136937041
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937045
2-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136937046
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136937047
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136937048
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136937049
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136937050
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136937053
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 136937055

Frequently Asked Questions

What is the IUPAC name of 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one?
The IUPAC name of 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one (CID 159588657) is 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one.
What is the SMILES notation for 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one?
The canonical SMILES for 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one is O=C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2[nH]nc3ncc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.O=C1COc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(c2)N1.
What is the InChIKey of 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one?
The InChIKey is MJYLIXJHMRDDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O2.3C26H17N7O2/c34-24-14-35-19-4-1-3-16(10-19)20-5-2-6-23-25(20)31-27(30-23)26-21-11-15(7-8-22(21)32-33-26)17-9-18(29-24)13-28-12-17;34-22-13-35-18-4-1-3-14(8-18)19-5-2-6-21-23(19)31-26(30-21)24-20-9-16(11-28-25(20)33-32-24)15-7-17(29-22)12-27-10-15;34-23-13-35-18-3-1-2-15(7-18)20-11-28-12-22-24(20)31-26(30-22)25-19-8-14(4-5-21(19)32-33-25)16-6-17(29-23)10-27-9-16;34-22-13-35-18-3-1-2-15(9-18)23-25-21(6-7-28-23)30-26(31-25)24-19-10-14(4-5-20(19)32-33-24)16-8-17(29-22)12-27-11-16/h1-13H,14H2,(H,29,34)(H,30,31)(H,32,33);1-12H,13H2,(H,29,34)(H,30,31)(H,28,32,33);2*1-12H,13H2,(H,29,34)(H,30,31)(H,32,33).
What are the key properties of 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one?
15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one has a molecular weight of 1836.89 g/mol, XLogP of 18.85, 0 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxa-3,7,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,8,18,21,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4,6,8,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one;15-oxa-3,18,21,26,28,29,34-heptazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(30),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27-tetradecaen-17-one;15-oxa-3,18,21,28,29,34-hexazaheptacyclo[22.5.2.12,5.110,14.119,23.04,9.027,30]tetratriaconta-1(29),2,4(9),5,7,10(33),11,13,19,21,23(32),24(31),25,27(30)-tetradecaen-17-one is sourced from PubChem (CID 159588657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).