6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

C215H134N10O10S5 — CID 160736920

IUPAC6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
SMILESO=S1(=O)c2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5cccc(-c6ccccc6)c5)c4c3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(C3=C4C=CC=C5C=CC6=C(C(=C3)CC=C6)C54)cccc2-n2c(-c3ccccc3)nc3cccc1c32
InChIInChI=1S/C59H36N2O2S.C51H32N2O2S.3C35H22N2O2S/c62-64(63)54-23-11-21-52-57(54)61(59(60-52)41-14-2-1-3-15-41)53-22-10-20-47(58(53)64)40-28-24-39(25-29-40)44-32-33-50-51(36-44)56(46-31-27-38-13-5-7-17-43(38)35-46)49-19-9-8-18-48(49)55(50)45-30-26-37-12-4-6-16-42(37)34-45;54-56(55)46-28-14-26-44-49(46)53(51(52-44)35-19-8-3-9-20-35)45-27-13-25-39(50(45)56)37-29-30-42-43(32-37)48(38-22-12-21-36(31-38)33-15-4-1-5-16-33)41-24-11-10-23-40(41)47(42)34-17-6-2-7-18-34;38-40(39)30-17-7-15-28-33(30)37(35(36-28)23-8-2-1-3-9-23)29-16-6-14-26(34(29)40)27-20-24-12-4-10-21-18-19-22-11-5-13-25(27)32(22)31(21)24;38-40(39)32-16-8-14-30-33(32)37(35(36-30)24-11-5-2-6-12-24)31-15-7-13-29(34(31)40)28-20-19-26-21-25(17-18-27(26)22-28)23-9-3-1-4-10-23;38-40(39)32-15-7-13-30-33(32)37(35(36-30)26-9-2-1-3-10-26)31-14-6-12-29(34(31)40)25-19-16-24(17-20-25)28-21-18-23-8-4-5-11-27(23)22-28/h1-36H;1-32H;1-11,13-20,32H,12H2;2*1-22H
InChIKeyRVBOOUXUMSRRAK-UHFFFAOYSA-N
MW3177.83 g/mol
LogP52.06
Rot. Bonds18

About 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide

6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (PubChem CID 160736920) has the molecular formula C215H134N10O10S5 and a molecular weight of 3177.83 g/mol. Its IUPAC name is 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.

Molecular Properties

Compound Name6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
PubChem CID160736920
Molecular FormulaC215H134N10O10S5
Molecular Weight3177.83 g/mol
Exact Mass3174.89
IUPAC Name6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
SMILESO=S1(=O)c2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5cccc(-c6ccccc6)c5)c4c3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(C3=C4C=CC=C5C=CC6=C(C(=C3)CC=C6)C54)cccc2-n2c(-c3ccccc3)nc3cccc1c32
InChIInChI=1S/C59H36N2O2S.C51H32N2O2S.3C35H22N2O2S/c62-64(63)54-23-11-21-52-57(54)61(59(60-52)41-14-2-1-3-15-41)53-22-10-20-47(58(53)64)40-28-24-39(25-29-40)44-32-33-50-51(36-44)56(46-31-27-38-13-5-7-17-43(38)35-46)49-19-9-8-18-48(49)55(50)45-30-26-37-12-4-6-16-42(37)34-45;54-56(55)46-28-14-26-44-49(46)53(51(52-44)35-19-8-3-9-20-35)45-27-13-25-39(50(45)56)37-29-30-42-43(32-37)48(38-22-12-21-36(31-38)33-15-4-1-5-16-33)41-24-11-10-23-40(41)47(42)34-17-6-2-7-18-34;38-40(39)30-17-7-15-28-33(30)37(35(36-28)23-8-2-1-3-9-23)29-16-6-14-26(34(29)40)27-20-24-12-4-10-21-18-19-22-11-5-13-25(27)32(22)31(21)24;38-40(39)32-16-8-14-30-33(32)37(35(36-30)24-11-5-2-6-12-24)31-15-7-13-29(34(31)40)28-20-19-26-21-25(17-18-27(26)22-28)23-9-3-1-4-10-23;38-40(39)32-15-7-13-30-33(32)37(35(36-30)26-9-2-1-3-10-26)31-14-6-12-29(34(31)40)25-19-16-24(17-20-25)28-21-18-23-8-4-5-11-27(23)22-28/h1-36H;1-32H;1-11,13-20,32H,12H2;2*1-22H
InChIKeyRVBOOUXUMSRRAK-UHFFFAOYSA-N
XLogP52.06
TPSA259.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003177.83
LogP ≤ 552.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide with MolForge

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Related Compounds

6-(9,10-diphenylanthracen-2-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486482
6-(6,10b-dihydropyren-4-yl)-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;6-fluoranthen-3-yl-8-methyl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-perylen-3-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-(4-phenanthren-9-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene;8-methyl-6-phenanthren-9-yl-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 161246050
15-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486428
5-(6,10b-dihydropyren-4-yl)-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-fluoranthen-3-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide;5-perylen-3-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
CID 158674756
5-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486386
15-phenyl-5-[10-(4-phenylphenyl)anthracen-9-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486367
5-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486389
15-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;15-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide;8-phenyl-15-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
CID 161184732
5-(10-phenanthren-9-ylanthracen-9-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486368
15-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469108
15-phenyl-5-(10-quinolin-8-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486372
5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469279

Frequently Asked Questions

What is the IUPAC name of 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
The IUPAC name of 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide (CID 160736920) is 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide.
What is the SMILES notation for 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
The canonical SMILES for 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is O=S1(=O)c2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc(-c4ccc5ccccc5c4)cc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5cccc(-c6ccccc6)c5)c4c3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.O=S1(=O)c2c(C3=C4C=CC=C5C=CC6=C(C(=C3)CC=C6)C54)cccc2-n2c(-c3ccccc3)nc3cccc1c32.
What is the InChIKey of 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
The InChIKey is RVBOOUXUMSRRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2S.C51H32N2O2S.3C35H22N2O2S/c62-64(63)54-23-11-21-52-57(54)61(59(60-52)41-14-2-1-3-15-41)53-22-10-20-47(58(53)64)40-28-24-39(25-29-40)44-32-33-50-51(36-44)56(46-31-27-38-13-5-7-17-43(38)35-46)49-19-9-8-18-48(49)55(50)45-30-26-37-12-4-6-16-42(37)34-45;54-56(55)46-28-14-26-44-49(46)53(51(52-44)35-19-8-3-9-20-35)45-27-13-25-39(50(45)56)37-29-30-42-43(32-37)48(38-22-12-21-36(31-38)33-15-4-1-5-16-33)41-24-11-10-23-40(41)47(42)34-17-6-2-7-18-34;38-40(39)30-17-7-15-28-33(30)37(35(36-28)23-8-2-1-3-9-23)29-16-6-14-26(34(29)40)27-20-24-12-4-10-21-18-19-22-11-5-13-25(27)32(22)31(21)24;38-40(39)32-16-8-14-30-33(32)37(35(36-30)24-11-5-2-6-12-24)31-15-7-13-29(34(31)40)28-20-19-26-21-25(17-18-27(26)22-28)23-9-3-1-4-10-23;38-40(39)32-15-7-13-30-33(32)37(35(36-30)26-9-2-1-3-10-26)31-14-6-12-29(34(31)40)25-19-16-24(17-20-25)28-21-18-23-8-4-5-11-27(23)22-28/h1-36H;1-32H;1-11,13-20,32H,12H2;2*1-22H.
What are the key properties of 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide?
6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide has a molecular weight of 3177.83 g/mol, XLogP of 52.06, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,10b-dihydropyren-4-yl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;6-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-(6-phenylnaphthalen-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide;15-phenyl-6-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide is sourced from PubChem (CID 160736920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).