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

C218H150O6 — CID 161375248

IUPAC4-[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
SMILESCC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)c4cc4c(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)cccc34)cccc21.CC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(C)C)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4cccc5c(-c6cc7cccc8ccc9cccc6c9c87)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7O8)c6cc45)c32)cc1
InChIInChI=1S/C80H50O2.C79H54O2.C59H46O2/c1-5-26-54(27-6-1)79(55-28-7-2-8-29-55)68-41-13-15-43-70(68)81-72-45-21-39-63(77(72)79)58-34-19-37-60-65(58)50-66-59(35-20-38-61(66)76(60)67-49-53-25-17-23-51-47-48-52-24-18-36-62(67)75(52)74(51)53)64-40-22-46-73-78(64)80(56-30-9-3-10-31-56,57-32-11-4-12-33-57)69-42-14-16-44-71(69)82-73;1-77(2)65-42-16-15-34-61(65)74-62(41-25-45-68(74)77)73-57-37-21-35-55(59-39-23-46-69-75(59)80-71-48-19-17-43-66(71)78(69,51-26-7-3-8-27-51)52-28-9-4-10-29-52)63(57)50-64-56(36-22-38-58(64)73)60-40-24-47-70-76(60)81-72-49-20-18-44-67(72)79(70,53-30-11-5-12-31-53)54-32-13-6-14-33-54;1-57(2)45-26-8-7-18-41(45)54-42(25-17-29-48(54)57)53-37-21-13-19-35(39-23-15-30-49-55(39)60-51-32-11-9-27-46(51)58(49,3)4)43(37)34-44-36(20-14-22-38(44)53)40-24-16-31-50-56(40)61-52-33-12-10-28-47(52)59(50,5)6/h1-50H;3-50H,1-2H3;7-34H,1-6H3
InChIKeyVQZKRYHQJWOISB-UHFFFAOYSA-N
MW2865.59 g/mol
LogP57.31
Rot. Bonds17

About 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

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 (PubChem CID 161375248) has the molecular formula C218H150O6 and a molecular weight of 2865.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID161375248
Molecular FormulaC218H150O6
Molecular Weight2865.59 g/mol
Exact Mass2863.14
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)c4cc4c(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)cccc34)cccc21.CC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(C)C)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4cccc5c(-c6cc7cccc8ccc9cccc6c9c87)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7O8)c6cc45)c32)cc1
InChIInChI=1S/C80H50O2.C79H54O2.C59H46O2/c1-5-26-54(27-6-1)79(55-28-7-2-8-29-55)68-41-13-15-43-70(68)81-72-45-21-39-63(77(72)79)58-34-19-37-60-65(58)50-66-59(35-20-38-61(66)76(60)67-49-53-25-17-23-51-47-48-52-24-18-36-62(67)75(52)74(51)53)64-40-22-46-73-78(64)80(56-30-9-3-10-31-56,57-32-11-4-12-33-57)69-42-14-16-44-71(69)82-73;1-77(2)65-42-16-15-34-61(65)74-62(41-25-45-68(74)77)73-57-37-21-35-55(59-39-23-46-69-75(59)80-71-48-19-17-43-66(71)78(69,51-26-7-3-8-27-51)52-28-9-4-10-29-52)63(57)50-64-56(36-22-38-58(64)73)60-40-24-47-70-76(60)81-72-49-20-18-44-67(72)79(70,53-30-11-5-12-31-53)54-32-13-6-14-33-54;1-57(2)45-26-8-7-18-41(45)54-42(25-17-29-48(54)57)53-37-21-13-19-35(39-23-15-30-49-55(39)60-51-32-11-9-27-46(51)58(49,3)4)43(37)34-44-36(20-14-22-38(44)53)40-24-16-31-50-56(40)61-52-33-12-10-28-47(52)59(50,5)6/h1-50H;3-50H,1-2H3;7-34H,1-6H3
InChIKeyVQZKRYHQJWOISB-UHFFFAOYSA-N
XLogP57.31
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002865.59
LogP ≤ 557.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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[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
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-dimethylxanthen-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333803
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
CID 155333842
4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 142384701
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-dinaphthalen-1-ylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333841
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
4-[10-anthracen-2-yl-8-(9,9-dimethylxanthen-4-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333253
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]
CID 155334397
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155334577

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)c4cc4c(-c5cccc6c5Oc5ccccc5C6(c5ccccc5)c5ccccc5)cccc34)cccc21.CC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6c5-c5ccccc5C6(C)C)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4cccc5c(-c6cc7cccc8ccc9cccc6c9c87)c6cccc(-c7cccc8c7C(c7ccccc7)(c7ccccc7)c7ccccc7O8)c6cc45)c32)cc1.
What is the InChIKey of 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?
The InChIKey is VQZKRYHQJWOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50O2.C79H54O2.C59H46O2/c1-5-26-54(27-6-1)79(55-28-7-2-8-29-55)68-41-13-15-43-70(68)81-72-45-21-39-63(77(72)79)58-34-19-37-60-65(58)50-66-59(35-20-38-61(66)76(60)67-49-53-25-17-23-51-47-48-52-24-18-36-62(67)75(52)74(51)53)64-40-22-46-73-78(64)80(56-30-9-3-10-31-56,57-32-11-4-12-33-57)69-42-14-16-44-71(69)82-73;1-77(2)65-42-16-15-34-61(65)74-62(41-25-45-68(74)77)73-57-37-21-35-55(59-39-23-46-69-75(59)80-71-48-19-17-43-66(71)78(69,51-26-7-3-8-27-51)52-28-9-4-10-29-52)63(57)50-64-56(36-22-38-58(64)73)60-40-24-47-70-76(60)81-72-49-20-18-44-67(72)79(70,53-30-11-5-12-31-53)54-32-13-6-14-33-54;1-57(2)45-26-8-7-18-41(45)54-42(25-17-29-48(54)57)53-37-21-13-19-35(39-23-15-30-49-55(39)60-51-32-11-9-27-46(51)58(49,3)4)43(37)34-44-36(20-14-22-38(44)53)40-24-16-31-50-56(40)61-52-33-12-10-28-47(52)59(50,5)6/h1-50H;3-50H,1-2H3;7-34H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 2865.59 g/mol, XLogP of 57.31, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161375248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).