2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline

C198H183N9O4S — CID 158890452

IUPAC2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-c4nc5ccccc5s4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4cccn4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3nccc4ccccc34)c2)c(C)c1
InChIInChI=1S/2C56H52N2O.C45H40N2OS.C41H39N3O/c1-35-27-36(2)52(37(3)28-35)39-29-40(53-46-18-11-10-15-38(46)24-26-58-53)31-45(30-39)59-44-17-14-16-43(32-44)56(51-19-12-13-25-57-51)49-33-41(54(4,5)6)20-22-47(49)48-23-21-42(34-50(48)56)55(7,8)9;1-35-25-36(2)53(37(3)26-35)41-27-40(51-30-38-15-10-11-16-39(38)34-58-51)28-46(29-41)59-45-18-14-17-44(31-45)56(52-19-12-13-24-57-52)49-32-42(54(4,5)6)20-22-47(49)48-23-21-43(33-50(48)56)55(7,8)9;1-43(2,3)30-20-22-35-36-23-21-31(44(4,5)6)28-38(36)45(37(35)27-30,41-19-9-10-24-46-41)32-14-12-16-34(26-32)48-33-15-11-13-29(25-33)42-47-39-17-7-8-18-40(39)49-42;1-39(2,3)28-17-19-34-35-20-18-29(40(4,5)6)26-37(35)41(36(34)25-28,38-16-7-8-21-42-38)30-12-9-14-32(24-30)45-33-15-10-13-31(27-33)44-23-11-22-43-44/h2*10-34H,1-9H3;7-28H,1-6H3;7-27H,1-6H3
InChIKeyJEDYCWDBGKUCEA-UHFFFAOYSA-N
MW2784.77 g/mol
LogP51.41
Rot. Bonds22

About 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline

2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline (PubChem CID 158890452) has the molecular formula C198H183N9O4S and a molecular weight of 2784.77 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline.

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline
PubChem CID158890452
Molecular FormulaC198H183N9O4S
Molecular Weight2784.77 g/mol
Exact Mass2782.41
IUPAC Name2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-c4nc5ccccc5s4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4cccn4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3nccc4ccccc34)c2)c(C)c1
InChIInChI=1S/2C56H52N2O.C45H40N2OS.C41H39N3O/c1-35-27-36(2)52(37(3)28-35)39-29-40(53-46-18-11-10-15-38(46)24-26-58-53)31-45(30-39)59-44-17-14-16-43(32-44)56(51-19-12-13-25-57-51)49-33-41(54(4,5)6)20-22-47(49)48-23-21-42(34-50(48)56)55(7,8)9;1-35-25-36(2)53(37(3)26-35)41-27-40(51-30-38-15-10-11-16-39(38)34-58-51)28-46(29-41)59-45-18-14-17-44(31-45)56(52-19-12-13-24-57-52)49-32-42(54(4,5)6)20-22-47(49)48-23-21-43(33-50(48)56)55(7,8)9;1-43(2,3)30-20-22-35-36-23-21-31(44(4,5)6)28-38(36)45(37(35)27-30,41-19-9-10-24-46-41)32-14-12-16-34(26-32)48-33-15-11-13-29(25-33)42-47-39-17-7-8-18-40(39)49-42;1-39(2,3)28-17-19-34-35-20-18-29(40(4,5)6)26-37(35)41(36(34)25-28,38-16-7-8-21-42-38)30-12-9-14-32(24-30)45-33-15-10-13-31(27-33)44-23-11-22-43-44/h2*10-34H,1-9H3;7-28H,1-6H3;7-27H,1-6H3
InChIKeyJEDYCWDBGKUCEA-UHFFFAOYSA-N
XLogP51.41
TPSA144.97 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.77
LogP ≤ 551.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline with MolForge

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Related Compounds

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole
CID 157119600
2-[2,7-Ditert-butyl-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;tetrakis(platinum(2+))
CID 157512658
Pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;3-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline
CID 157685524
2-[9-[3-[3-(4-phenyltriazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine;(1R,7S)-4-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[9-[3-[3-(1,2,4-triazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 157973219
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole
CID 158032253
2-[9-[3-[3-(2,6-Dimethylphenyl)-5-pyrazol-1-ylphenoxy]phenyl]fluoren-9-yl]pyridine;2-[9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;2-[9-[3-[3-(triazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine;2-[9-[3-[3-(triazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 158934620
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,6-dimethylphenyl)phenyl]-1,3-benzothiazole;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-6-fluoroquinoline
CID 160089081
4-(2-Fluorophenyl)-2-propan-2-ylthiophene;4-fluoro-3-(3-propan-2-ylphenyl)pyridine;1-methoxy-2-(3-propan-2-ylphenyl)benzene;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-2-phenylmethoxy-4-propan-2-ylbenzene;1-methyl-2-(3-propan-2-ylphenyl)benzene;1-methyl-5-(3-propan-2-ylphenyl)indazole;2-methyl-5-(3-propan-2-ylphenyl)-1,3-thiazole;2-phenylmethoxy-4-propan-2-ylpyridine;2-phenylmethoxy-5-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)pyridine
CID 160462624
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;9-[2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-4-pyridinyl]carbazole
CID 160523150
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;1-tert-butyl-6-methoxy-3-phenylnaphthalene;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
CID 160641738
2-[9-[3-[3-(2,6-Dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine
CID 160652993
4-Tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]xanthen-9-yl]pyridine;2-[9-[3-[3-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1,3-benzothiazole
CID 160782943

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline?
The IUPAC name of 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline (CID 158890452) is 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline.
What is the SMILES notation for 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline?
The canonical SMILES for 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline is CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-c4nc5ccccc5s4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)C(c1cccc(Oc3cccc(-n4cccn4)c3)c1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)c3)cc(-c3nccc4ccccc34)c2)c(C)c1.
What is the InChIKey of 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline?
The InChIKey is JEDYCWDBGKUCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H52N2O.C45H40N2OS.C41H39N3O/c1-35-27-36(2)52(37(3)28-35)39-29-40(53-46-18-11-10-15-38(46)24-26-58-53)31-45(30-39)59-44-17-14-16-43(32-44)56(51-19-12-13-25-57-51)49-33-41(54(4,5)6)20-22-47(49)48-23-21-42(34-50(48)56)55(7,8)9;1-35-25-36(2)53(37(3)26-35)41-27-40(51-30-38-15-10-11-16-39(38)34-58-51)28-46(29-41)59-45-18-14-17-44(31-45)56(52-19-12-13-24-57-52)49-32-42(54(4,5)6)20-22-47(49)48-23-21-43(33-50(48)56)55(7,8)9;1-43(2,3)30-20-22-35-36-23-21-31(44(4,5)6)28-38(36)45(37(35)27-30,41-19-9-10-24-46-41)32-14-12-16-34(26-32)48-33-15-11-13-29(25-33)42-47-39-17-7-8-18-40(39)49-42;1-39(2,3)28-17-19-34-35-20-18-29(40(4,5)6)26-37(35)41(36(34)25-28,38-16-7-8-21-42-38)30-12-9-14-32(24-30)45-33-15-10-13-31(27-33)44-23-11-22-43-44/h2*10-34H,1-9H3;7-28H,1-6H3;7-27H,1-6H3.
What are the key properties of 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline?
2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline has a molecular weight of 2784.77 g/mol, XLogP of 51.41, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline is sourced from PubChem (CID 158890452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).