22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline

C222H130N6O8 — CID 158485727

IUPAC22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1)\c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(-c%10ccc%11ccccc%11c%10)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(C%10c%11ccccc%11Cc%11ccccc%11%10)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(C=c%10c%11cccc%12c(=O)c%13cccc%14c(=O)c%15cccc%10c%15n(c%13%14)c%12%11)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45
InChIInChI=1S/C66H34N2O4.C58H35NO2.C54H31NO2.C44H30N2/c69-63-47-11-1-7-43-55(44-8-2-12-48-58(44)67(57(43)47)61-51(63)15-5-16-52(61)64(48)70)33-37-23-27-39-29-35(21-25-41(39)31-37)19-20-36-22-26-42-32-38(24-28-40(42)30-36)34-56-45-9-3-13-49-59(45)68-60-46(56)10-4-14-50(60)66(72)54-18-6-17-53(62(54)68)65(49)71;60-57-48-14-5-12-46-52(47-13-6-15-49-55(47)59(54(46)48)56-50(57)16-7-17-51(56)58(49)61)31-36-22-25-37-28-34(20-23-38(37)30-36)18-19-35-21-24-40-32-43(27-26-39(40)29-35)53-44-10-3-1-8-41(44)33-42-9-2-4-11-45(42)53;56-53-45-10-3-8-43-49(44-9-4-11-46-51(44)55(50(43)45)52-47(53)12-5-13-48(52)54(46)57)29-34-18-21-37-26-32(16-19-38(37)28-34)14-15-33-17-20-40-31-42(25-24-39(40)27-33)41-23-22-35-6-1-2-7-36(35)30-41;1-5-35-9-3-25-45-43(35)37(7-1)19-13-33-17-23-39-27-31(15-21-41(39)29-33)11-12-32-16-22-42-30-34(18-24-40(42)28-32)14-20-38-8-2-6-36-10-4-26-46-44(36)38/h1-34H;1-32,53H,33H2;1-31H;1-30H/b20-19+;19-18+;15-14+;12-11+,19-13+,20-14+
InChIKeyHIBOSWSGMWTNTM-ODGSJPJBSA-N
MW3009.52 g/mol
LogP48.03
Rot. Bonds18

About 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline

22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline (PubChem CID 158485727) has the molecular formula C222H130N6O8 and a molecular weight of 3009.52 g/mol. Its IUPAC name is 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline.

Molecular Properties

Compound Name22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
PubChem CID158485727
Molecular FormulaC222H130N6O8
Molecular Weight3009.52 g/mol
Exact Mass3007.00
IUPAC Name22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1)\c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(-c%10ccc%11ccccc%11c%10)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(C%10c%11ccccc%11Cc%11ccccc%11%10)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(C=c%10c%11cccc%12c(=O)c%13cccc%14c(=O)c%15cccc%10c%15n(c%13%14)c%12%11)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45
InChIInChI=1S/C66H34N2O4.C58H35NO2.C54H31NO2.C44H30N2/c69-63-47-11-1-7-43-55(44-8-2-12-48-58(44)67(57(43)47)61-51(63)15-5-16-52(61)64(48)70)33-37-23-27-39-29-35(21-25-41(39)31-37)19-20-36-22-26-42-32-38(24-28-40(42)30-36)34-56-45-9-3-13-49-59(45)68-60-46(56)10-4-14-50(60)66(72)54-18-6-17-53(62(54)68)65(49)71;60-57-48-14-5-12-46-52(47-13-6-15-49-55(47)59(54(46)48)56-50(57)16-7-17-51(56)58(49)61)31-36-22-25-37-28-34(20-23-38(37)30-36)18-19-35-21-24-40-32-43(27-26-39(40)29-35)53-44-10-3-1-8-41(44)33-42-9-2-4-11-45(42)53;56-53-45-10-3-8-43-49(44-9-4-11-46-51(44)55(50(43)45)52-47(53)12-5-13-48(52)54(46)57)29-34-18-21-37-26-32(16-19-38(37)28-34)14-15-33-17-20-40-31-42(25-24-39(40)27-33)41-23-22-35-6-1-2-7-36(35)30-41;1-5-35-9-3-25-45-43(35)37(7-1)19-13-33-17-23-39-27-31(15-21-41(39)29-33)11-12-32-16-22-42-30-34(18-24-40(42)28-32)14-20-38-8-2-6-36-10-4-26-46-44(36)38/h1-34H;1-32,53H,33H2;1-31H;1-30H/b20-19+;19-18+;15-14+;12-11+,19-13+,20-14+
InChIKeyHIBOSWSGMWTNTM-ODGSJPJBSA-N
XLogP48.03
TPSA179.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003009.52
LogP ≤ 548.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
The IUPAC name of 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline (CID 158485727) is 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline.
What is the SMILES notation for 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
The canonical SMILES for 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline is C(=C/c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1)\c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(-c%10ccc%11ccccc%11c%10)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(C%10c%11ccccc%11Cc%11ccccc%11%10)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.O=c1c2cccc3c(=O)c4cccc5c(=Cc6ccc7cc(/C=C/c8ccc9cc(C=c%10c%11cccc%12c(=O)c%13cccc%14c(=O)c%15cccc%10c%15n(c%13%14)c%12%11)ccc9c8)ccc7c6)c6cccc1c6n(c23)c45.
What is the InChIKey of 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
The InChIKey is HIBOSWSGMWTNTM-ODGSJPJBSA-N. The full InChI is InChI=1S/C66H34N2O4.C58H35NO2.C54H31NO2.C44H30N2/c69-63-47-11-1-7-43-55(44-8-2-12-48-58(44)67(57(43)47)61-51(63)15-5-16-52(61)64(48)70)33-37-23-27-39-29-35(21-25-41(39)31-37)19-20-36-22-26-42-32-38(24-28-40(42)30-36)34-56-45-9-3-13-49-59(45)68-60-46(56)10-4-14-50(60)66(72)54-18-6-17-53(62(54)68)65(49)71;60-57-48-14-5-12-46-52(47-13-6-15-49-55(47)59(54(46)48)56-50(57)16-7-17-51(56)58(49)61)31-36-22-25-37-28-34(20-23-38(37)30-36)18-19-35-21-24-40-32-43(27-26-39(40)29-35)53-44-10-3-1-8-41(44)33-42-9-2-4-11-45(42)53;56-53-45-10-3-8-43-49(44-9-4-11-46-51(44)55(50(43)45)52-47(53)12-5-13-48(52)54(46)57)29-34-18-21-37-26-32(16-19-38(37)28-34)14-15-33-17-20-40-31-42(25-24-39(40)27-33)41-23-22-35-6-1-2-7-36(35)30-41;1-5-35-9-3-25-45-43(35)37(7-1)19-13-33-17-23-39-27-31(15-21-41(39)29-33)11-12-32-16-22-42-30-34(18-24-40(42)28-32)14-20-38-8-2-6-36-10-4-26-46-44(36)38/h1-34H;1-32,53H,33H2;1-31H;1-30H/b20-19+;19-18+;15-14+;12-11+,19-13+,20-14+.
What are the key properties of 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline has a molecular weight of 3009.52 g/mol, XLogP of 48.03, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[[6-[(E)-2-[6-(9,10-dihydroanthracen-9-yl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-[6-[(14,22-dioxo-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-8-ylidene)methyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;22-[[6-[(E)-2-(6-naphthalen-2-ylnaphthalen-2-yl)ethenyl]naphthalen-2-yl]methylidene]-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-8,14-dione;8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline is sourced from PubChem (CID 158485727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).