3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine

C142H86N4O4S — CID 161331276

IUPAC3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)nc1.c1ccc2c(c1)Oc1ccc(-c3cc4cc5ccccc5cc4cn3)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(-c3ccc4ccc5ccccc5c4n3)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(-c3ccc4sc5ccccc5c4n3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C38H23NO.C36H21NOS.C30H19NO/c1-2-10-25-20-28-23-39-35(22-27(28)19-24(25)9-1)26-17-18-37-34(21-26)38(33-15-7-8-16-36(33)40-37)31-13-5-3-11-29(31)30-12-4-6-14-32(30)38;1-2-10-27-24(9-1)17-18-25-19-21-34(39-37(25)27)26-20-22-36-33(23-26)38(32-15-7-8-16-35(32)40-36)30-13-5-3-11-28(30)29-12-4-6-14-31(29)38;1-4-12-26-23(9-1)24-10-2-5-13-27(24)36(26)28-14-6-7-15-31(28)38-32-19-17-22(21-29(32)36)30-18-20-34-35(37-30)25-11-3-8-16-33(25)39-34;1-3-11-23-21(9-1)22-10-2-4-12-24(22)30(23)25-13-5-6-15-28(25)32-29-17-16-20(19-26(29)30)27-14-7-8-18-31-27/h2*1-23H;1-21H;1-19H
InChIKeyVLLHFIKIJBLFIW-UHFFFAOYSA-N
MW1944.34 g/mol
LogP35.85
Rot. Bonds4

About 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine

3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine (PubChem CID 161331276) has the molecular formula C142H86N4O4S and a molecular weight of 1944.34 g/mol. Its IUPAC name is 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine.

Molecular Properties

Compound Name3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
PubChem CID161331276
Molecular FormulaC142H86N4O4S
Molecular Weight1944.34 g/mol
Exact Mass1942.64
IUPAC Name3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)nc1.c1ccc2c(c1)Oc1ccc(-c3cc4cc5ccccc5cc4cn3)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(-c3ccc4ccc5ccccc5c4n3)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(-c3ccc4sc5ccccc5c4n3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C38H23NO.C36H21NOS.C30H19NO/c1-2-10-25-20-28-23-39-35(22-27(28)19-24(25)9-1)26-17-18-37-34(21-26)38(33-15-7-8-16-36(33)40-37)31-13-5-3-11-29(31)30-12-4-6-14-32(30)38;1-2-10-27-24(9-1)17-18-25-19-21-34(39-37(25)27)26-20-22-36-33(23-26)38(32-15-7-8-16-35(32)40-36)30-13-5-3-11-28(30)29-12-4-6-14-31(29)38;1-4-12-26-23(9-1)24-10-2-5-13-27(24)36(26)28-14-6-7-15-31(28)38-32-19-17-22(21-29(32)36)30-18-20-34-35(37-30)25-11-3-8-16-33(25)39-34;1-3-11-23-21(9-1)22-10-2-4-12-24(22)30(23)25-13-5-6-15-28(25)32-29-17-16-20(19-26(29)30)27-14-7-8-18-31-27/h2*1-23H;1-21H;1-19H
InChIKeyVLLHFIKIJBLFIW-UHFFFAOYSA-N
XLogP35.85
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001944.34
LogP ≤ 535.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine with MolForge

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Related Compounds

2-Tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-fluoronaphthalene;2-tert-butyl-1-fluoronaphthalene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;7-tert-butyl-3-methoxyisoquinoline;6-tert-butyl-1-methoxynaphthalene;6-tert-butyl-2-methoxyquinoline;6-tert-butyl-1-methylindole;2-tert-butyl-1-methylnaphthalene;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;1-tert-butyl-2-phenylbenzene;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene
CID 158695138
3'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 160042667
5,10-Bis(4-tert-butylphenyl)-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;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-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;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-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;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;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
CID 162051928
21-Dibenzothiophen-4-yl-8-oxa-10,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15,17,19-undecaene
CID 145354166
2-Spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine
CID 146262715
3-(6H-benzo[c]chromen-10-yl)-6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dimethylcyclohexen-1-yl]-[1]benzothiolo[2,3-c]quinoline
CID 146489155
5-[5-[1,1-Bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]ethyl]thiophen-2-yl]-5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridine
CID 153299368
5-[5-[Bis[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]methyl]thiophen-2-yl]-5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridine
CID 153299484
5-(6-But-2-ynoxynaphthalen-2-yl)-5-[5-[tris[5-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-b]pyridin-5-yl]thiophen-2-yl]methyl]thiophen-2-yl]indeno[1,2-b]pyridine
CID 153299520
5,10-Bis(2-phenylphenoxy)-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 155466914
17-[6-[2-[4-[4-[19-[9,9-Bis[4-(4-ethenylphenoxy)phenyl]fluoren-4-yl]-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaen-17-yl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-ethenylphenyl]-9,9-dimethylfluoren-2-yl]-19-(9,9-dimethylfluoren-2-yl)-4,11-bis(4-methylphenyl)-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 155467269
3-Naphthalen-1-yl-7-[10-(1,10-phenanthrolin-5-yl)-15-phenyl-1-(4-phenylphenyl)-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl]-2-(1-phenyl-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 156106526

Frequently Asked Questions

What is the IUPAC name of 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The IUPAC name of 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine (CID 161331276) is 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine.
What is the SMILES notation for 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The canonical SMILES for 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)nc1.c1ccc2c(c1)Oc1ccc(-c3cc4cc5ccccc5cc4cn3)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(-c3ccc4ccc5ccccc5c4n3)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1ccc(-c3ccc4sc5ccccc5c4n3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
The InChIKey is VLLHFIKIJBLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23NO.C36H21NOS.C30H19NO/c1-2-10-25-20-28-23-39-35(22-27(28)19-24(25)9-1)26-17-18-37-34(21-26)38(33-15-7-8-16-36(33)40-37)31-13-5-3-11-29(31)30-12-4-6-14-32(30)38;1-2-10-27-24(9-1)17-18-25-19-21-34(39-37(25)27)26-20-22-36-33(23-26)38(32-15-7-8-16-35(32)40-36)30-13-5-3-11-28(30)29-12-4-6-14-31(29)38;1-4-12-26-23(9-1)24-10-2-5-13-27(24)36(26)28-14-6-7-15-31(28)38-32-19-17-22(21-29(32)36)30-18-20-34-35(37-30)25-11-3-8-16-33(25)39-34;1-3-11-23-21(9-1)22-10-2-4-12-24(22)30(23)25-13-5-6-15-28(25)32-29-17-16-20(19-26(29)30)27-14-7-8-18-31-27/h2*1-23H;1-21H;1-19H.
What are the key properties of 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine?
3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine has a molecular weight of 1944.34 g/mol, XLogP of 35.85, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[g]isoquinoline;2-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[h]quinoline;2-spiro[fluorene-9,9'-xanthene]-2'-yl-[1]benzothiolo[3,2-b]pyridine;2-spiro[fluorene-9,9'-xanthene]-2'-ylpyridine is sourced from PubChem (CID 161331276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).