5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]

C289H170 — CID 161073348

IUPAC5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
SMILESc1cc(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6c7c(c8ccccc8c6c5)-c5ccc6ccccc6c5C75c6ccccc6-c6ccccc65)cc4)ccc-2c13.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3ccccc23)-c2c1c1ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc1c1ccccc21.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3ccccc23)-c2c1c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1c1ccccc21
InChIInChI=1S/2C59H34.3C57H34/c1-2-16-37-35(15-1)29-32-49-56-47-26-10-7-21-42(47)51-33-36(30-31-48(51)58(56)59(57(37)49)53-27-13-11-22-43(53)44-23-12-14-28-54(44)59)50-34-52-40-19-4-3-17-38(40)39-18-5-8-24-45(39)55(52)46-25-9-6-20-41(46)50;1-2-13-40-36(12-1)28-31-51-56-48-19-6-5-16-43(48)52-34-38(29-30-50(52)58(56)59(57(40)51)53-22-9-7-17-44(53)45-18-8-10-23-54(45)59)35-24-26-37(27-25-35)39-32-33-49-42-15-4-3-14-41(42)47-21-11-20-46(39)55(47)49;1-4-19-41-35(14-1)28-31-49-54-47-25-8-7-22-44(47)51-33-37(36-16-13-17-38(32-36)50-34-39-15-2-3-18-40(39)42-20-5-6-21-43(42)50)29-30-48(51)56(54)57(55(41)49)52-26-11-9-23-45(52)46-24-10-12-27-53(46)57;1-4-16-41-36(13-1)29-32-49-54-47-22-8-7-19-44(47)51-33-38(35-25-27-37(28-26-35)50-34-39-14-2-3-15-40(39)42-17-5-6-18-43(42)50)30-31-48(51)56(54)57(55(41)49)52-23-11-9-20-45(52)46-21-10-12-24-53(46)57;1-4-19-40-35(15-1)29-32-49-54-47-26-10-9-23-44(47)51-34-37(39-18-5-6-21-42(39)50-33-36-16-2-3-17-38(36)41-20-7-8-22-43(41)50)30-31-48(51)56(54)57(55(40)49)52-27-13-11-24-45(52)46-25-12-14-28-53(46)57/h2*1-34H;3*1-34H
InChIKeyUEYFCTMJSDEJHR-UHFFFAOYSA-N
MW3642.54 g/mol
LogP76.78
Rot. Bonds9

About 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]

5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] (PubChem CID 161073348) has the molecular formula C289H170 and a molecular weight of 3642.54 g/mol. Its IUPAC name is 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene].

Molecular Properties

Compound Name5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
PubChem CID161073348
Molecular FormulaC289H170
Molecular Weight3642.54 g/mol
Exact Mass3639.33
IUPAC Name5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
SMILESc1cc(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6c7c(c8ccccc8c6c5)-c5ccc6ccccc6c5C75c6ccccc6-c6ccccc65)cc4)ccc-2c13.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3ccccc23)-c2c1c1ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc1c1ccccc21.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3ccccc23)-c2c1c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1c1ccccc21
InChIInChI=1S/2C59H34.3C57H34/c1-2-16-37-35(15-1)29-32-49-56-47-26-10-7-21-42(47)51-33-36(30-31-48(51)58(56)59(57(37)49)53-27-13-11-22-43(53)44-23-12-14-28-54(44)59)50-34-52-40-19-4-3-17-38(40)39-18-5-8-24-45(39)55(52)46-25-9-6-20-41(46)50;1-2-13-40-36(12-1)28-31-51-56-48-19-6-5-16-43(48)52-34-38(29-30-50(52)58(56)59(57(40)51)53-22-9-7-17-44(53)45-18-8-10-23-54(45)59)35-24-26-37(27-25-35)39-32-33-49-42-15-4-3-14-41(42)47-21-11-20-46(39)55(47)49;1-4-19-41-35(14-1)28-31-49-54-47-25-8-7-22-44(47)51-33-37(36-16-13-17-38(32-36)50-34-39-15-2-3-18-40(39)42-20-5-6-21-43(42)50)29-30-48(51)56(54)57(55(41)49)52-26-11-9-23-45(52)46-24-10-12-27-53(46)57;1-4-16-41-36(13-1)29-32-49-54-47-22-8-7-19-44(47)51-33-38(35-25-27-37(28-26-35)50-34-39-14-2-3-15-40(39)42-17-5-6-18-43(42)50)30-31-48(51)56(54)57(55(41)49)52-23-11-9-20-45(52)46-21-10-12-24-53(46)57;1-4-19-40-35(15-1)29-32-49-54-47-26-10-9-23-44(47)51-34-37(39-18-5-6-21-42(39)50-33-36-16-2-3-17-38(36)41-20-7-8-22-43(41)50)30-31-48(51)56(54)57(55(40)49)52-27-13-11-24-45(52)46-25-12-14-28-53(46)57/h2*1-34H;3*1-34H
InChIKeyUEYFCTMJSDEJHR-UHFFFAOYSA-N
XLogP76.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms289
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003642.54
LogP ≤ 576.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?
The IUPAC name of 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] (CID 161073348) is 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene].
What is the SMILES notation for 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?
The canonical SMILES for 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] is c1cc(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)c1.c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc6c7c(c8ccccc8c6c5)-c5ccc6ccccc6c5C75c6ccccc6-c6ccccc65)cc4)ccc-2c13.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3ccccc23)-c2c1c1ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc1c1ccccc21.c1ccc2c(c1)-c1ccccc1C21c2c(ccc3ccccc23)-c2c1c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1c1ccccc21.
What is the InChIKey of 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?
The InChIKey is UEYFCTMJSDEJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H34.3C57H34/c1-2-16-37-35(15-1)29-32-49-56-47-26-10-7-21-42(47)51-33-36(30-31-48(51)58(56)59(57(37)49)53-27-13-11-22-43(53)44-23-12-14-28-54(44)59)50-34-52-40-19-4-3-17-38(40)39-18-5-8-24-45(39)55(52)46-25-9-6-20-41(46)50;1-2-13-40-36(12-1)28-31-51-56-48-19-6-5-16-43(48)52-34-38(29-30-50(52)58(56)59(57(40)51)53-22-9-7-17-44(53)45-18-8-10-23-54(45)59)35-24-26-37(27-25-35)39-32-33-49-42-15-4-3-14-41(42)47-21-11-20-46(39)55(47)49;1-4-19-41-35(14-1)28-31-49-54-47-25-8-7-22-44(47)51-33-37(36-16-13-17-38(32-36)50-34-39-15-2-3-18-40(39)42-20-5-6-21-43(42)50)29-30-48(51)56(54)57(55(41)49)52-26-11-9-23-45(52)46-24-10-12-27-53(46)57;1-4-16-41-36(13-1)29-32-49-54-47-22-8-7-19-44(47)51-33-38(35-25-27-37(28-26-35)50-34-39-14-2-3-15-40(39)42-17-5-6-18-43(42)50)30-31-48(51)56(54)57(55(41)49)52-23-11-9-20-45(52)46-21-10-12-24-53(46)57;1-4-19-40-35(15-1)29-32-49-54-47-26-10-9-23-44(47)51-34-37(39-18-5-6-21-42(39)50-33-36-16-2-3-17-38(36)41-20-7-8-22-43(41)50)30-31-48(51)56(54)57(55(40)49)52-27-13-11-24-45(52)46-25-12-14-28-53(46)57/h2*1-34H;3*1-34H.
What are the key properties of 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?
5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] has a molecular weight of 3642.54 g/mol, XLogP of 76.78, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene];5'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] is sourced from PubChem (CID 161073348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).