14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C336H204N6O6 — CID 159613597

IUPAC14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc5c24)oc2ccccc23)cc1
InChIInChI=1S/3C56H33NO.3C56H35NO/c1-2-15-35(16-3-1)51-53-41-20-7-12-27-48(41)57-55(43(53)33-50-54(51)42-21-8-13-28-49(42)58-50)36-31-29-34(30-32-36)37-22-14-26-47-52(37)40-19-6-11-25-46(40)56(47)44-23-9-4-17-38(44)39-18-5-10-24-45(39)56;1-2-14-35(15-3-1)52-53-42-19-7-12-24-49(42)57-55(44(53)33-51-54(52)43-20-8-13-25-50(43)58-51)36-28-26-34(27-29-36)37-30-31-41-40-18-6-11-23-47(40)56(48(41)32-37)45-21-9-4-16-38(45)39-17-5-10-22-46(39)56;1-2-14-35(15-3-1)52-53-41-19-7-12-24-49(41)57-55(44(53)33-51-54(52)42-20-8-13-25-50(42)58-51)36-28-26-34(27-29-36)37-30-31-48-43(32-37)40-18-6-11-23-47(40)56(48)45-21-9-4-16-38(45)39-17-5-10-22-46(39)56;1-4-17-37(18-5-1)51-53-43-24-11-14-29-48(43)57-55(45(53)35-50-54(51)44-25-12-15-30-49(44)58-50)38-33-31-36(32-34-38)41-26-16-28-47-52(41)42-23-10-13-27-46(42)56(47,39-19-6-2-7-20-39)40-21-8-3-9-22-40;1-4-16-37(17-5-1)52-53-44-23-11-14-26-49(44)57-55(46(53)35-51-54(52)45-24-12-15-27-50(45)58-51)38-30-28-36(29-31-38)39-32-33-43-42-22-10-13-25-47(42)56(48(43)34-39,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-4-16-37(17-5-1)52-53-43-23-11-14-26-49(43)57-55(46(53)35-51-54(52)44-24-12-15-27-50(44)58-51)38-30-28-36(29-31-38)39-32-33-48-45(34-39)42-22-10-13-25-47(42)56(48,40-18-6-2-7-19-40)41-20-8-3-9-21-41/h3*1-33H;3*1-35H
InChIKeyMMZXSACNIGXZME-UHFFFAOYSA-N
MW4421.36 g/mol
LogP87.85
Rot. Bonds24

About 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 159613597) has the molecular formula C336H204N6O6 and a molecular weight of 4421.36 g/mol. Its IUPAC name is 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID159613597
Molecular FormulaC336H204N6O6
Molecular Weight4421.36 g/mol
Exact Mass4417.58
IUPAC Name14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc5c24)oc2ccccc23)cc1
InChIInChI=1S/3C56H33NO.3C56H35NO/c1-2-15-35(16-3-1)51-53-41-20-7-12-27-48(41)57-55(43(53)33-50-54(51)42-21-8-13-28-49(42)58-50)36-31-29-34(30-32-36)37-22-14-26-47-52(37)40-19-6-11-25-46(40)56(47)44-23-9-4-17-38(44)39-18-5-10-24-45(39)56;1-2-14-35(15-3-1)52-53-42-19-7-12-24-49(42)57-55(44(53)33-51-54(52)43-20-8-13-25-50(43)58-51)36-28-26-34(27-29-36)37-30-31-41-40-18-6-11-23-47(40)56(48(41)32-37)45-21-9-4-16-38(45)39-17-5-10-22-46(39)56;1-2-14-35(15-3-1)52-53-41-19-7-12-24-49(41)57-55(44(53)33-51-54(52)42-20-8-13-25-50(42)58-51)36-28-26-34(27-29-36)37-30-31-48-43(32-37)40-18-6-11-23-47(40)56(48)45-21-9-4-16-38(45)39-17-5-10-22-46(39)56;1-4-17-37(18-5-1)51-53-43-24-11-14-29-48(43)57-55(45(53)35-50-54(51)44-25-12-15-30-49(44)58-50)38-33-31-36(32-34-38)41-26-16-28-47-52(41)42-23-10-13-27-46(42)56(47,39-19-6-2-7-20-39)40-21-8-3-9-22-40;1-4-16-37(17-5-1)52-53-44-23-11-14-26-49(44)57-55(46(53)35-51-54(52)45-24-12-15-27-50(45)58-51)38-30-28-36(29-31-38)39-32-33-43-42-22-10-13-25-47(42)56(48(43)34-39,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-4-16-37(17-5-1)52-53-43-23-11-14-26-49(43)57-55(46(53)35-51-54(52)44-24-12-15-27-50(44)58-51)38-30-28-36(29-31-38)39-32-33-48-45(34-39)42-22-10-13-25-47(42)56(48,40-18-6-2-7-19-40)41-20-8-3-9-21-41/h3*1-33H;3*1-35H
InChIKeyMMZXSACNIGXZME-UHFFFAOYSA-N
XLogP87.85
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004421.36
LogP ≤ 587.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

14-phenyl-2-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155247100
2-phenyl-14-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246771
14-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246259
2-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-(3-phenylphenyl)quinoxaline
CID 171051318
14-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 148805623
2-phenyl-14-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 153134734
2-phenyl-14-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246770
14-(4-dibenzofuran-3-ylphenyl)-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155247040
14-phenyl-2-(4-triphenylen-2-ylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 149265203
2-(3-phenanthren-9-ylphenyl)-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(4-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 157259823
2-[4-(3-phenanthren-9-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246294
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 164755378

Frequently Asked Questions

What is the IUPAC name of 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 159613597) is 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.c1ccc(-c2c3c(cc4c(-c5ccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc5c24)oc2ccccc23)cc1.
What is the InChIKey of 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is MMZXSACNIGXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H33NO.3C56H35NO/c1-2-15-35(16-3-1)51-53-41-20-7-12-27-48(41)57-55(43(53)33-50-54(51)42-21-8-13-28-49(42)58-50)36-31-29-34(30-32-36)37-22-14-26-47-52(37)40-19-6-11-25-46(40)56(47)44-23-9-4-17-38(44)39-18-5-10-24-45(39)56;1-2-14-35(15-3-1)52-53-42-19-7-12-24-49(42)57-55(44(53)33-51-54(52)43-20-8-13-25-50(43)58-51)36-28-26-34(27-29-36)37-30-31-41-40-18-6-11-23-47(40)56(48(41)32-37)45-21-9-4-16-38(45)39-17-5-10-22-46(39)56;1-2-14-35(15-3-1)52-53-41-19-7-12-24-49(41)57-55(44(53)33-51-54(52)42-20-8-13-25-50(42)58-51)36-28-26-34(27-29-36)37-30-31-48-43(32-37)40-18-6-11-23-47(40)56(48)45-21-9-4-16-38(45)39-17-5-10-22-46(39)56;1-4-17-37(18-5-1)51-53-43-24-11-14-29-48(43)57-55(45(53)35-50-54(51)44-25-12-15-30-49(44)58-50)38-33-31-36(32-34-38)41-26-16-28-47-52(41)42-23-10-13-27-46(42)56(47,39-19-6-2-7-20-39)40-21-8-3-9-22-40;1-4-16-37(17-5-1)52-53-44-23-11-14-26-49(44)57-55(46(53)35-51-54(52)45-24-12-15-27-50(45)58-51)38-30-28-36(29-31-38)39-32-33-43-42-22-10-13-25-47(42)56(48(43)34-39,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-4-16-37(17-5-1)52-53-43-23-11-14-26-49(43)57-55(46(53)35-51-54(52)44-24-12-15-27-50(44)58-51)38-30-28-36(29-31-38)39-32-33-48-45(34-39)42-22-10-13-25-47(42)56(48,40-18-6-2-7-19-40)41-20-8-3-9-21-41/h3*1-33H;3*1-35H.
What are the key properties of 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 4421.36 g/mol, XLogP of 87.85, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-phenyl-14-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 159613597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).