22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

C332H196 — CID 161140423

IUPAC22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESc1cc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5cc6c(c7ccccc57)-c5c(c7ccccc7c7ccccc57)C65c6ccccc6-c6ccccc65)cc4)ccc-2c13.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c2-c2ccc3ccccc3c21
InChIInChI=1S/C59H34.C57H34.2C55H32.2C53H32/c1-2-15-39-38(14-1)46-25-13-24-45-37(32-33-49(39)55(45)46)35-28-30-36(31-29-35)51-34-54-56(47-21-6-4-18-42(47)51)57-48-22-7-3-16-40(48)41-17-5-8-23-50(41)58(57)59(54)52-26-11-9-19-43(52)44-20-10-12-27-53(44)59;1-2-19-38-37(16-1)33-49(42-23-4-3-20-39(38)42)35-17-15-18-36(32-35)50-34-53-54(46-27-8-6-24-43(46)50)55-47-28-9-5-21-40(47)41-22-7-10-29-48(41)56(55)57(53)51-30-13-11-25-44(51)45-26-12-14-31-52(45)57;1-2-15-34-33(14-1)28-29-47-53-45-23-8-7-20-39(45)48(32-51(53)55(54(34)47)49-26-11-9-21-41(49)42-22-10-12-27-50(42)55)38-19-6-3-16-35(38)40-30-31-46-37-18-5-4-17-36(37)43-24-13-25-44(40)52(43)46;1-2-16-37-33(13-1)27-28-47-53-45-22-6-5-19-40(45)48(32-51(53)55(54(37)47)49-25-9-7-20-41(49)42-21-8-10-26-50(42)55)35-15-11-14-34(31-35)36-29-30-46-39-18-4-3-17-38(39)44-24-12-23-43(36)52(44)46;1-4-16-38-33(13-1)29-30-45-51-44-22-8-7-19-41(44)47(32-50(51)53(52(38)45)48-23-11-9-20-42(48)43-21-10-12-24-49(43)53)35-27-25-34(26-28-35)46-31-36-14-2-3-15-37(36)39-17-5-6-18-40(39)46;1-4-18-36-33(15-1)29-30-45-51-44-26-10-9-23-41(44)47(32-50(51)53(52(36)45)48-27-13-11-24-42(48)43-25-12-14-28-49(43)53)40-22-8-7-21-39(40)46-31-34-16-2-3-17-35(34)37-19-5-6-20-38(37)46/h1-34H;1-34H;2*1-32H;2*1-32H
InChIKeyUNJGNQFZDJDGEE-UHFFFAOYSA-N
MW4185.22 g/mol
LogP87.65
Rot. Bonds12

About 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (PubChem CID 161140423) has the molecular formula C332H196 and a molecular weight of 4185.22 g/mol. Its IUPAC name is 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].

Molecular Properties

Compound Name22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
PubChem CID161140423
Molecular FormulaC332H196
Molecular Weight4185.22 g/mol
Exact Mass4181.53
IUPAC Name22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESc1cc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5cc6c(c7ccccc57)-c5c(c7ccccc7c7ccccc57)C65c6ccccc6-c6ccccc65)cc4)ccc-2c13.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c2-c2ccc3ccccc3c21
InChIInChI=1S/C59H34.C57H34.2C55H32.2C53H32/c1-2-15-39-38(14-1)46-25-13-24-45-37(32-33-49(39)55(45)46)35-28-30-36(31-29-35)51-34-54-56(47-21-6-4-18-42(47)51)57-48-22-7-3-16-40(48)41-17-5-8-23-50(41)58(57)59(54)52-26-11-9-19-43(52)44-20-10-12-27-53(44)59;1-2-19-38-37(16-1)33-49(42-23-4-3-20-39(38)42)35-17-15-18-36(32-35)50-34-53-54(46-27-8-6-24-43(46)50)55-47-28-9-5-21-40(47)41-22-7-10-29-48(41)56(55)57(53)51-30-13-11-25-44(51)45-26-12-14-31-52(45)57;1-2-15-34-33(14-1)28-29-47-53-45-23-8-7-20-39(45)48(32-51(53)55(54(34)47)49-26-11-9-21-41(49)42-22-10-12-27-50(42)55)38-19-6-3-16-35(38)40-30-31-46-37-18-5-4-17-36(37)43-24-13-25-44(40)52(43)46;1-2-16-37-33(13-1)27-28-47-53-45-22-6-5-19-40(45)48(32-51(53)55(54(37)47)49-25-9-7-20-41(49)42-21-8-10-26-50(42)55)35-15-11-14-34(31-35)36-29-30-46-39-18-4-3-17-38(39)44-24-12-23-43(36)52(44)46;1-4-16-38-33(13-1)29-30-45-51-44-22-8-7-19-41(44)47(32-50(51)53(52(38)45)48-23-11-9-20-42(48)43-21-10-12-24-49(43)53)35-27-25-34(26-28-35)46-31-36-14-2-3-15-37(36)39-17-5-6-18-40(39)46;1-4-18-36-33(15-1)29-30-45-51-44-26-10-9-23-41(44)47(32-50(51)53(52(36)45)48-27-13-11-24-42(48)43-25-12-14-28-49(43)53)40-22-8-7-21-39(40)46-31-34-16-2-3-17-35(34)37-19-5-6-20-38(37)46/h1-34H;1-34H;2*1-32H;2*1-32H
InChIKeyUNJGNQFZDJDGEE-UHFFFAOYSA-N
XLogP87.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms332
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004185.22
LogP ≤ 587.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The IUPAC name of 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (CID 161140423) is 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].
What is the SMILES notation for 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The canonical SMILES for 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is c1cc(-c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1.c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C32c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5cc6c(c7ccccc57)-c5c(c7ccccc7c7ccccc57)C65c6ccccc6-c6ccccc65)cc4)ccc-2c13.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c2-c2ccc3ccccc3c21.
What is the InChIKey of 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The InChIKey is UNJGNQFZDJDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34.C57H34.2C55H32.2C53H32/c1-2-15-39-38(14-1)46-25-13-24-45-37(32-33-49(39)55(45)46)35-28-30-36(31-29-35)51-34-54-56(47-21-6-4-18-42(47)51)57-48-22-7-3-16-40(48)41-17-5-8-23-50(41)58(57)59(54)52-26-11-9-19-43(52)44-20-10-12-27-53(44)59;1-2-19-38-37(16-1)33-49(42-23-4-3-20-39(38)42)35-17-15-18-36(32-35)50-34-53-54(46-27-8-6-24-43(46)50)55-47-28-9-5-21-40(47)41-22-7-10-29-48(41)56(55)57(53)51-30-13-11-25-44(51)45-26-12-14-31-52(45)57;1-2-15-34-33(14-1)28-29-47-53-45-23-8-7-20-39(45)48(32-51(53)55(54(34)47)49-26-11-9-21-41(49)42-22-10-12-27-50(42)55)38-19-6-3-16-35(38)40-30-31-46-37-18-5-4-17-36(37)43-24-13-25-44(40)52(43)46;1-2-16-37-33(13-1)27-28-47-53-45-22-6-5-19-40(45)48(32-51(53)55(54(37)47)49-25-9-7-20-41(49)42-21-8-10-26-50(42)55)35-15-11-14-34(31-35)36-29-30-46-39-18-4-3-17-38(39)44-24-12-23-43(36)52(44)46;1-4-16-38-33(13-1)29-30-45-51-44-22-8-7-19-41(44)47(32-50(51)53(52(38)45)48-23-11-9-20-42(48)43-21-10-12-24-49(43)53)35-27-25-34(26-28-35)46-31-36-14-2-3-15-37(36)39-17-5-6-18-40(39)46;1-4-18-36-33(15-1)29-30-45-51-44-26-10-9-23-41(44)47(32-50(51)53(52(36)45)48-27-13-11-24-42(48)43-25-12-14-28-49(43)53)40-22-8-7-21-39(40)46-31-34-16-2-3-17-35(34)37-19-5-6-20-38(37)46/h1-34H;1-34H;2*1-32H;2*1-32H.
What are the key properties of 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] has a molecular weight of 4185.22 g/mol, XLogP of 87.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is sourced from PubChem (CID 161140423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).