17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

C256H157F3N4O4S2 — CID 158163805

IUPAC17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Oc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8cc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)ccc8c8ccc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8c7nc56)cccc43)cc2)cc1.Cc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4ccccc4-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1
InChIInChI=1S/C162H102N2O4S.C94H55F3N2S/c1-5-99-61-79-109(80-62-99)165-113-87-71-105(72-88-113)159(106-73-89-114(90-74-106)166-110-81-63-100(6-2)64-82-110)141-53-25-17-41-129(141)151-133(47-31-57-145(151)159)157-155-156(158(169-157)134-48-32-58-146-152(134)130-42-18-26-54-142(130)160(146,107-75-91-115(92-76-107)167-111-83-65-101(7-3)66-84-111)108-77-93-116(94-78-108)168-112-85-67-102(8-4)68-86-112)164-154-136-98-104(118-34-10-12-36-120(118)128-46-30-60-148-150(128)132-44-20-28-56-144(132)162(148)139-51-23-15-39-125(139)126-40-16-24-52-140(126)162)70-96-122(136)121-95-69-103(97-135(121)153(154)163-155)117-33-9-11-35-119(117)127-45-29-59-147-149(127)131-43-19-27-55-143(131)161(147)137-49-21-13-37-123(137)124-38-14-22-50-138(124)161;1-54-24-2-3-25-57(54)60-28-6-4-26-58(60)55-48-50-62-63-51-49-56(59-27-5-7-29-61(59)64-30-12-21-45-81(64)94(95,96)97)53-74(63)87-86(73(62)52-55)98-88-89(99-87)91(72-38-23-47-83-85(72)70-36-14-20-44-80(70)93(83)77-41-17-10-33-67(77)68-34-11-18-42-78(68)93)100-90(88)71-37-22-46-82-84(71)69-35-13-19-43-79(69)92(82)75-39-15-8-31-65(75)66-32-9-16-40-76(66)92/h5-98H,1-4H2;2-53H,1H3
InChIKeyFWPDLWPKMXHNDI-UHFFFAOYSA-N
MW3474.22 g/mol
LogP67.47
Rot. Bonds28

About 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene

17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene (PubChem CID 158163805) has the molecular formula C256H157F3N4O4S2 and a molecular weight of 3474.22 g/mol. Its IUPAC name is 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene.

Molecular Properties

Compound Name17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
PubChem CID158163805
Molecular FormulaC256H157F3N4O4S2
Molecular Weight3474.22 g/mol
Exact Mass3471.16
IUPAC Name17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Oc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8cc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)ccc8c8ccc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8c7nc56)cccc43)cc2)cc1.Cc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4ccccc4-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1
InChIInChI=1S/C162H102N2O4S.C94H55F3N2S/c1-5-99-61-79-109(80-62-99)165-113-87-71-105(72-88-113)159(106-73-89-114(90-74-106)166-110-81-63-100(6-2)64-82-110)141-53-25-17-41-129(141)151-133(47-31-57-145(151)159)157-155-156(158(169-157)134-48-32-58-146-152(134)130-42-18-26-54-142(130)160(146,107-75-91-115(92-76-107)167-111-83-65-101(7-3)66-84-111)108-77-93-116(94-78-108)168-112-85-67-102(8-4)68-86-112)164-154-136-98-104(118-34-10-12-36-120(118)128-46-30-60-148-150(128)132-44-20-28-56-144(132)162(148)139-51-23-15-39-125(139)126-40-16-24-52-140(126)162)70-96-122(136)121-95-69-103(97-135(121)153(154)163-155)117-33-9-11-35-119(117)127-45-29-59-147-149(127)131-43-19-27-55-143(131)161(147)137-49-21-13-37-123(137)124-38-14-22-50-138(124)161;1-54-24-2-3-25-57(54)60-28-6-4-26-58(60)55-48-50-62-63-51-49-56(59-27-5-7-29-61(59)64-30-12-21-45-81(64)94(95,96)97)53-74(63)87-86(73(62)52-55)98-88-89(99-87)91(72-38-23-47-83-85(72)70-36-14-20-44-80(70)93(83)77-41-17-10-33-67(77)68-34-11-18-42-78(68)93)100-90(88)71-37-22-46-82-84(71)69-35-13-19-43-79(69)92(82)75-39-15-8-31-65(75)66-32-9-16-40-76(66)92/h5-98H,1-4H2;2-53H,1H3
InChIKeyFWPDLWPKMXHNDI-UHFFFAOYSA-N
XLogP67.47
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms269
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003474.22
LogP ≤ 567.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene with MolForge

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Related Compounds

6,7-Difluoro-2,3-bis(4-methoxyphenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500549
17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5,10-bis[2,4-bis(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155466919
17,19-Bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-5,10-bis(4-fluorophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155466926
17,19-Di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155467215
17,19-Bis(9,9-dimethylfluoren-4-yl)-5,10-bis[2-(trifluoromethyl)phenoxy]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155467331
17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-4,11-bis(2-fluorophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 155467434
17,19-Bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-5-(2,4-dimethylphenyl)-10-[2-methyl-4-(trifluoromethyl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 158288060
6,7-Difluoro-2-(3-hexoxyphenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-3-(3-methylphenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 158450989
17,19-Bis(9,9-diphenylfluoren-4-yl)-5,10-bis(2,4,6-trifluorophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-5,10-bis(2,4-difluorophenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;methyl 4-[17,19-bis[9,9-bis(4-methoxyphenyl)fluoren-4-yl]-10-(4-methoxycarbonylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaen-5-yl]benzoate;5-[3-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-10-[3-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 158842005
CID 159567743
CID 159567743
17,19-Bis(9,9-dimethylfluoren-4-yl)-5-(2-methylphenoxy)-10-[2-(trifluoromethyl)phenoxy]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 159567744
17,19-Bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-bis(9,9-dimethylfluoren-4-yl)-4,11-bis(2-phenanthren-2-ylphenyl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4,11-bis[2-(4-phenylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene
CID 160991121

Frequently Asked Questions

What is the IUPAC name of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
The IUPAC name of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene (CID 158163805) is 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene.
What is the SMILES notation for 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
The canonical SMILES for 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene is C=Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C=C)cc5)cc4)c4ccccc4-c4c(-c5sc(-c6cccc7c6-c6ccccc6C7(c6ccc(Oc7ccc(C=C)cc7)cc6)c6ccc(Oc7ccc(C=C)cc7)cc6)c6nc7c8cc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)ccc8c8ccc(-c9ccccc9-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)cc8c7nc56)cccc43)cc2)cc1.Cc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4ccccc4-c4ccccc4C(F)(F)F)cc3c3nc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)sc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4nc3c2c1.
What is the InChIKey of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
The InChIKey is FWPDLWPKMXHNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H102N2O4S.C94H55F3N2S/c1-5-99-61-79-109(80-62-99)165-113-87-71-105(72-88-113)159(106-73-89-114(90-74-106)166-110-81-63-100(6-2)64-82-110)141-53-25-17-41-129(141)151-133(47-31-57-145(151)159)157-155-156(158(169-157)134-48-32-58-146-152(134)130-42-18-26-54-142(130)160(146,107-75-91-115(92-76-107)167-111-83-65-101(7-3)66-84-111)108-77-93-116(94-78-108)168-112-85-67-102(8-4)68-86-112)164-154-136-98-104(118-34-10-12-36-120(118)128-46-30-60-148-150(128)132-44-20-28-56-144(132)162(148)139-51-23-15-39-125(139)126-40-16-24-52-140(126)162)70-96-122(136)121-95-69-103(97-135(121)153(154)163-155)117-33-9-11-35-119(117)127-45-29-59-147-149(127)131-43-19-27-55-143(131)161(147)137-49-21-13-37-123(137)124-38-14-22-50-138(124)161;1-54-24-2-3-25-57(54)60-28-6-4-26-58(60)55-48-50-62-63-51-49-56(59-27-5-7-29-61(59)64-30-12-21-45-81(64)94(95,96)97)53-74(63)87-86(73(62)52-55)98-88-89(99-87)91(72-38-23-47-83-85(72)70-36-14-20-44-80(70)93(83)77-41-17-10-33-67(77)68-34-11-18-42-78(68)93)100-90(88)71-37-22-46-82-84(71)69-35-13-19-43-79(69)92(82)75-39-15-8-31-65(75)66-32-9-16-40-76(66)92/h5-98H,1-4H2;2-53H,1H3.
What are the key properties of 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene?
17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene has a molecular weight of 3474.22 g/mol, XLogP of 67.47, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-bis[9,9-bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-4,11-bis[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;4-[2-(2-methylphenyl)phenyl]-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-11-[2-[2-(trifluoromethyl)phenyl]phenyl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene is sourced from PubChem (CID 158163805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).