8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline

C86H66N6O6 — CID 134852501

IUPAC8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline
SMILESCC12c3cc(COc4cccc5cccnc45)c(COc4cccc5cccnc45)cc3C3(C)c4cc(COc5cccc6cccnc56)c(COc5cccc6cccnc56)cc4C(C)(c4cc(COc5cccc6cccnc56)c(COc5cccc6cccnc56)cc41)C23C
InChIInChI=1S/C86H66N6O6/c1-83-65-41-59(47-93-71-29-5-17-53-23-11-35-87-77(53)71)61(49-95-73-31-7-19-55-25-13-37-89-79(55)73)43-67(65)84(2)69-45-63(51-97-75-33-9-21-57-27-15-39-91-81(57)75)64(52-98-76-34-10-22-58-28-16-40-92-82(58)76)46-70(69)85(3,86(83,84)4)68-44-62(50-96-74-32-8-20-56-26-14-38-90-80(56)74)60(42-66(68)83)48-94-72-30-6-18-54-24-12-36-88-78(54)72/h5-46H,47-52H2,1-4H3
InChIKeyGSNUZDWZQKZJBM-UHFFFAOYSA-N
MW1279.51 g/mol
LogP18.71
Rot. Bonds18

About 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline

8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline (PubChem CID 134852501) has the molecular formula C86H66N6O6 and a molecular weight of 1279.51 g/mol. Its IUPAC name is 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline.

Molecular Properties

Compound Name8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline
PubChem CID134852501
Molecular FormulaC86H66N6O6
Molecular Weight1279.51 g/mol
Exact Mass1278.50
IUPAC Name8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline
SMILESCC12c3cc(COc4cccc5cccnc45)c(COc4cccc5cccnc45)cc3C3(C)c4cc(COc5cccc6cccnc56)c(COc5cccc6cccnc56)cc4C(C)(c4cc(COc5cccc6cccnc56)c(COc5cccc6cccnc56)cc41)C23C
InChIInChI=1S/C86H66N6O6/c1-83-65-41-59(47-93-71-29-5-17-53-23-11-35-87-77(53)71)61(49-95-73-31-7-19-55-25-13-37-89-79(55)73)43-67(65)84(2)69-45-63(51-97-75-33-9-21-57-27-15-39-91-81(57)75)64(52-98-76-34-10-22-58-28-16-40-92-82(58)76)46-70(69)85(3,86(83,84)4)68-44-62(50-96-74-32-8-20-56-26-14-38-90-80(56)74)60(42-66(68)83)48-94-72-30-6-18-54-24-12-36-88-78(54)72/h5-46H,47-52H2,1-4H3
InChIKeyGSNUZDWZQKZJBM-UHFFFAOYSA-N
XLogP18.71
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.51
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline with MolForge

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Related Compounds

2-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)quinoline
CID 44447713
8-[[3-(Quinolin-8-yloxymethyl)naphthalen-2-yl]methoxy]quinoline
CID 76309065
5,14-Dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 160663778
10-[4-[1-Fluoro-6-(6'-isoquinolin-7-yl-2'-propan-2-yloxyspiro[adamantane-2,9'-fluorene]-4'-yl)-9,9-dimethylfluoren-3-yl]anthracen-9-yl]phenoxazine
CID 167165155
8-[[2,4,6-Trimethyl-3,5-bis(quinolin-8-yloxymethyl)phenyl]methoxy]quinoline
CID 91288497
1,2,4,5-Tetrakis(8-quinolinoxymethyl)benzene
CID 101381772
9,10-Bis(8-quinolinoxymethyl)anthracene
CID 129867336
8-{[2,3,5,6-Tetramethyl-4-(8-quinolyloxymethyl)phenyl]methoxy}quinoline
CID 1817558
13,30-Dioxa-10,27-diazanonacyclo[17.15.1.12,14.03,12.06,11.020,29.023,28.031,35.018,36]hexatriaconta-1,3(12),4,6(11),7,9,14,16,18(36),19(35),20(29),21,23(28),24,26,31,33-heptadecaene
CID 57564692
19,24-Dioxa-16,27-diazanonacyclo[18.14.2.02,7.08,36.09,18.012,17.023,35.025,34.026,31]hexatriaconta-1(35),2,4,6,8(36),9(18),10,12(17),13,15,20,22,25(34),26(31),27,29,32-heptadecaene
CID 57564697
2-[3-[2,7-Diethoxy-9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574254
2-[3-[9-[3-(1,10-Phenanthrolin-2-yl)phenyl]-2,7-diphenoxyfluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574289

Frequently Asked Questions

What is the IUPAC name of 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline?
The IUPAC name of 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline (CID 134852501) is 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline.
What is the SMILES notation for 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline?
The canonical SMILES for 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline is CC12c3cc(COc4cccc5cccnc45)c(COc4cccc5cccnc45)cc3C3(C)c4cc(COc5cccc6cccnc56)c(COc5cccc6cccnc56)cc4C(C)(c4cc(COc5cccc6cccnc56)c(COc5cccc6cccnc56)cc41)C23C.
What is the InChIKey of 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline?
The InChIKey is GSNUZDWZQKZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H66N6O6/c1-83-65-41-59(47-93-71-29-5-17-53-23-11-35-87-77(53)71)61(49-95-73-31-7-19-55-25-13-37-89-79(55)73)43-67(65)84(2)69-45-63(51-97-75-33-9-21-57-27-15-39-91-81(57)75)64(52-98-76-34-10-22-58-28-16-40-92-82(58)76)46-70(69)85(3,86(83,84)4)68-44-62(50-96-74-32-8-20-56-26-14-38-90-80(56)74)60(42-66(68)83)48-94-72-30-6-18-54-24-12-36-88-78(54)72/h5-46H,47-52H2,1-4H3.
What are the key properties of 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline?
8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline has a molecular weight of 1279.51 g/mol, XLogP of 18.71, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1,8,15,22-tetramethyl-5,11,12,18,19-pentakis(quinolin-8-yloxymethyl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]methoxy]quinoline is sourced from PubChem (CID 134852501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).