62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene

C56H30N10O2 — CID 122694692

IUPAC62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene
SMILESc1ccc2c3ccc(c2c1)-n1cnc2ccc4oc(nc4c21)-n1ccc2ccc4ccn(c4c21)-c1nc2c(ccc4ncn(c42)-c2ccc(c4ccccc24)-n2ccc4ccc5ccn-3c5c42)o1
InChIInChI=1S/C56H30N10O2/c1-3-7-37-35(5-1)41-15-17-43(37)65-29-57-39-13-19-45-47(53(39)65)59-55(67-45)63-27-23-33-11-12-34-24-28-64(52(34)51(33)63)56-60-48-46(68-56)20-14-40-54(48)66(30-58-40)44-18-16-42(36-6-2-4-8-38(36)44)62-26-22-32-10-9-31-21-25-61(41)49(31)50(32)62/h1-30H
InChIKeyLICYKEKODKRVDJ-UHFFFAOYSA-N
MW874.92 g/mol
LogP13.04
Rot. Bonds

About 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene

62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene (PubChem CID 122694692) has the molecular formula C56H30N10O2 and a molecular weight of 874.92 g/mol. Its IUPAC name is 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene.

Molecular Properties

Compound Name62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene
PubChem CID122694692
Molecular FormulaC56H30N10O2
Molecular Weight874.92 g/mol
Exact Mass874.26
IUPAC Name62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene
SMILESc1ccc2c3ccc(c2c1)-n1cnc2ccc4oc(nc4c21)-n1ccc2ccc4ccn(c4c21)-c1nc2c(ccc4ncn(c42)-c2ccc(c4ccccc24)-n2ccc4ccc5ccn-3c5c42)o1
InChIInChI=1S/C56H30N10O2/c1-3-7-37-35(5-1)41-15-17-43(37)65-29-57-39-13-19-45-47(53(39)65)59-55(67-45)63-27-23-33-11-12-34-24-28-64(52(34)51(33)63)56-60-48-46(68-56)20-14-40-54(48)66(30-58-40)44-18-16-42(36-6-2-4-8-38(36)44)62-26-22-32-10-9-31-21-25-61(41)49(31)50(32)62/h1-30H
InChIKeyLICYKEKODKRVDJ-UHFFFAOYSA-N
XLogP13.04
TPSA107.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.92
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene with MolForge

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Related Compounds

6-[9-[[2-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 139316593
2-[11-[4-[5-[11-(1,3-Benzoxazol-2-yl)-12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-4-yl]-2-pyridinyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 169924683
8-[3-[9-(2,3-Diphenylbenzimidazol-5-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 117747903
8-[2-[9-[4-(2-Phenylbenzimidazol-1-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 117747906
8-[2-[9-(2,3-Diphenylbenzimidazol-5-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 117747910
2-Phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 118228218
2-Phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 118228223
2-Phenyl-6-[4-(1-phenylimidazol-2-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 118228319
2,6-Bis[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzoxazole
CID 118532518
10-(8-Indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine
CID 118532604
9-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634515
2,9-Di(carbazol-9-yl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874078

Frequently Asked Questions

What is the IUPAC name of 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene?
The IUPAC name of 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene (CID 122694692) is 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene.
What is the SMILES notation for 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene?
The canonical SMILES for 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene is c1ccc2c3ccc(c2c1)-n1cnc2ccc4oc(nc4c21)-n1ccc2ccc4ccn(c4c21)-c1nc2c(ccc4ncn(c42)-c2ccc(c4ccccc24)-n2ccc4ccc5ccn-3c5c42)o1.
What is the InChIKey of 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene?
The InChIKey is LICYKEKODKRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N10O2/c1-3-7-37-35(5-1)41-15-17-43(37)65-29-57-39-13-19-45-47(53(39)65)59-55(67-45)63-27-23-33-11-12-34-24-28-64(52(34)51(33)63)56-60-48-46(68-56)20-14-40-54(48)66(30-58-40)44-18-16-42(36-6-2-4-8-38(36)44)62-26-22-32-10-9-31-21-25-61(41)49(31)50(32)62/h1-30H.
What are the key properties of 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene?
62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene has a molecular weight of 874.92 g/mol, XLogP of 13.04, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 62,65-dioxa-4,13,15,21,23,32,34,40,42,51-decazaheptadecacyclo[49.5.2.25,12.226,29.243,50.113,16.119,22.133,36.135,39.04,57.06,11.023,27.028,32.044,49.054,58.020,66.042,61]octahexaconta-1(57),2,5(68),6,8,10,12(67),14,16(66),17,19,21,24,26,28,30,33,35,37,39(61),40,43(60),44,46,48,50(59),52,54(58),55,63-triacontaene is sourced from PubChem (CID 122694692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).