1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene

C227H156O6 — CID 159206558

IUPAC1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.CC1(C)c2ccccc2Oc2cccc(-c3cccc4c(-c5cccc6c5-c5c(ccc7ccccc57)C65c6ccccc6-c6ccccc65)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6O7)c5cc34)c21.c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4cccc5c(-c6cccc7c6-c6c(ccc8ccccc68)C76c7ccccc7-c7ccccc76)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7O8)c6cc45)c32)cc1
InChIInChI=1S/C93H58O2.C73H50O2.C61H48O2/c1-5-29-60(30-6-1)91(61-31-7-2-8-32-61)78-49-19-21-52-82(78)94-84-54-26-44-71(89(84)91)65-40-23-42-69-74(65)58-75-66(72-45-27-55-85-90(72)92(62-33-9-3-10-34-62,63-35-11-4-12-36-63)79-50-20-22-53-83(79)95-85)41-24-43-70(75)86(69)73-46-25-51-80-88(73)87-64-37-14-13-28-59(64)56-57-81(87)93(80)76-47-17-15-38-67(76)68-39-16-18-48-77(68)93;1-71(2)58-33-11-13-36-62(58)74-64-38-18-28-51(69(64)71)45-24-15-26-49-54(45)42-55-46(52-29-19-39-65-70(52)72(3,4)59-34-12-14-37-63(59)75-65)25-16-27-50(55)66(49)53-30-17-35-60-68(53)67-44-21-6-5-20-43(44)40-41-61(67)73(60)56-31-9-7-22-47(56)48-23-8-10-32-57(48)73;1-59(2)49-28-7-9-32-53(49)62-57-43(24-16-30-51(57)59)37-19-13-21-40-46(37)36-47-38(44-25-17-31-52-58(44)63-54-33-10-8-29-50(54)60(52,3)4)20-14-22-41(47)55(40)45-26-15-23-42-39-18-5-6-27-48(39)61(56(42)45)34-11-12-35-61/h1-58H;5-42H,1-4H3;5-10,13-33,36H,11-12,34-35H2,1-4H3
InChIKeyKPYODWIACXXYBF-UHFFFAOYSA-N
MW2979.74 g/mol
LogP59.52
Rot. Bonds13

About 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene

1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene (PubChem CID 159206558) has the molecular formula C227H156O6 and a molecular weight of 2979.74 g/mol. Its IUPAC name is 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene.

Molecular Properties

Compound Name1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene
PubChem CID159206558
Molecular FormulaC227H156O6
Molecular Weight2979.74 g/mol
Exact Mass2977.19
IUPAC Name1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.CC1(C)c2ccccc2Oc2cccc(-c3cccc4c(-c5cccc6c5-c5c(ccc7ccccc57)C65c6ccccc6-c6ccccc65)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6O7)c5cc34)c21.c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4cccc5c(-c6cccc7c6-c6c(ccc8ccccc68)C76c7ccccc7-c7ccccc76)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7O8)c6cc45)c32)cc1
InChIInChI=1S/C93H58O2.C73H50O2.C61H48O2/c1-5-29-60(30-6-1)91(61-31-7-2-8-32-61)78-49-19-21-52-82(78)94-84-54-26-44-71(89(84)91)65-40-23-42-69-74(65)58-75-66(72-45-27-55-85-90(72)92(62-33-9-3-10-34-62,63-35-11-4-12-36-63)79-50-20-22-53-83(79)95-85)41-24-43-70(75)86(69)73-46-25-51-80-88(73)87-64-37-14-13-28-59(64)56-57-81(87)93(80)76-47-17-15-38-67(76)68-39-16-18-48-77(68)93;1-71(2)58-33-11-13-36-62(58)74-64-38-18-28-51(69(64)71)45-24-15-26-49-54(45)42-55-46(52-29-19-39-65-70(52)72(3,4)59-34-12-14-37-63(59)75-65)25-16-27-50(55)66(49)53-30-17-35-60-68(53)67-44-21-6-5-20-43(44)40-41-61(67)73(60)56-31-9-7-22-47(56)48-23-8-10-32-57(48)73;1-59(2)49-28-7-9-32-53(49)62-57-43(24-16-30-51(57)59)37-19-13-21-40-46(37)36-47-38(44-25-17-31-52-58(44)63-54-33-10-8-29-50(54)60(52,3)4)20-14-22-41(47)55(40)45-26-15-23-42-39-18-5-6-27-48(39)61(56(42)45)34-11-12-35-61/h1-58H;5-42H,1-4H3;5-10,13-33,36H,11-12,34-35H2,1-4H3
InChIKeyKPYODWIACXXYBF-UHFFFAOYSA-N
XLogP59.52
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms233
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002979.74
LogP ≤ 559.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene with MolForge

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Related Compounds

1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 147101765
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333315
4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-dimethylxanthen-4-yl)anthracen-1-yl]-9,9-dimethylxanthene;4-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylxanthene
CID 161375248
4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-diphenylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-diphenylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylxanthene
CID 158581005
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333385
4-[8-(9,9-diphenylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-diphenylxanthene
CID 155334418
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834
4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 142384701
1-[8-(9,9-dimethylxanthen-1-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333366
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-dinaphthalen-1-ylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333841
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
CID 155333842

Frequently Asked Questions

What is the IUPAC name of 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene?
The IUPAC name of 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene (CID 159206558) is 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene.
What is the SMILES notation for 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene?
The canonical SMILES for 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene is CC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.CC1(C)c2ccccc2Oc2cccc(-c3cccc4c(-c5cccc6c5-c5c(ccc7ccccc57)C65c6ccccc6-c6ccccc65)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6O7)c5cc34)c21.c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4cccc5c(-c6cccc7c6-c6c(ccc8ccccc68)C76c7ccccc7-c7ccccc76)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7O8)c6cc45)c32)cc1.
What is the InChIKey of 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene?
The InChIKey is KPYODWIACXXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H58O2.C73H50O2.C61H48O2/c1-5-29-60(30-6-1)91(61-31-7-2-8-32-61)78-49-19-21-52-82(78)94-84-54-26-44-71(89(84)91)65-40-23-42-69-74(65)58-75-66(72-45-27-55-85-90(72)92(62-33-9-3-10-34-62,63-35-11-4-12-36-63)79-50-20-22-53-83(79)95-85)41-24-43-70(75)86(69)73-46-25-51-80-88(73)87-64-37-14-13-28-59(64)56-57-81(87)93(80)76-47-17-15-38-67(76)68-39-16-18-48-77(68)93;1-71(2)58-33-11-13-36-62(58)74-64-38-18-28-51(69(64)71)45-24-15-26-49-54(45)42-55-46(52-29-19-39-65-70(52)72(3,4)59-34-12-14-37-63(59)75-65)25-16-27-50(55)66(49)53-30-17-35-60-68(53)67-44-21-6-5-20-43(44)40-41-61(67)73(60)56-31-9-7-22-47(56)48-23-8-10-32-57(48)73;1-59(2)49-28-7-9-32-53(49)62-57-43(24-16-30-51(57)59)37-19-13-21-40-46(37)36-47-38(44-25-17-31-52-58(44)63-54-33-10-8-29-50(54)60(52,3)4)20-14-22-41(47)55(40)45-26-15-23-42-39-18-5-6-27-48(39)61(56(42)45)34-11-12-35-61/h1-58H;5-42H,1-4H3;5-10,13-33,36H,11-12,34-35H2,1-4H3.
What are the key properties of 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene?
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene has a molecular weight of 2979.74 g/mol, XLogP of 59.52, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-dimethylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-diphenylxanthene is sourced from PubChem (CID 159206558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).