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

C204H138O6 — CID 158581005

IUPAC4-[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
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5O6)c4cc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5O6)cccc34)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Oc3c(-c4cccc5c(-c6cccc7ccccc67)c6cccc(-c7cccc8c7Oc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1
InChIInChI=1S/C76H50O2.C74H48O2.C54H40O2/c1-6-24-51(25-7-1)52-46-48-53(49-47-52)72-60-36-20-34-58(62-38-22-44-70-73(62)75(54-26-8-2-9-27-54,55-28-10-3-11-29-55)66-40-16-18-42-68(66)77-70)64(60)50-65-59(35-21-37-61(65)72)63-39-23-45-71-74(63)76(56-30-12-4-13-31-56,57-32-14-5-15-33-57)67-41-17-19-43-69(67)78-71;1-5-26-50(27-6-1)73(51-28-7-2-8-29-51)64-42-15-17-46-68(64)75-71-60(40-22-44-66(71)73)55-35-20-38-58-62(55)48-63-56(36-21-39-59(63)70(58)57-37-19-25-49-24-13-14-34-54(49)57)61-41-23-45-67-72(61)76-69-47-18-16-43-65(69)74(67,52-30-9-3-10-31-52)53-32-11-4-12-33-53;1-53(2)44-26-7-9-30-48(44)55-51-40(24-14-28-46(51)53)35-19-12-22-38-42(35)32-43-36(20-13-23-39(43)50(38)37-21-11-17-33-16-5-6-18-34(33)37)41-25-15-29-47-52(41)56-49-31-10-8-27-45(49)54(47,3)4/h1-50H;1-48H;5-32H,1-4H3
InChIKeyHTGDTNBUEGUCKH-UHFFFAOYSA-N
MW2685.34 g/mol
LogP53.77
Rot. Bonds18

About 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

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 (PubChem CID 158581005) has the molecular formula C204H138O6 and a molecular weight of 2685.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158581005
Molecular FormulaC204H138O6
Molecular Weight2685.34 g/mol
Exact Mass2683.05
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5O6)c4cc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5O6)cccc34)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Oc3c(-c4cccc5c(-c6cccc7ccccc67)c6cccc(-c7cccc8c7Oc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1
InChIInChI=1S/C76H50O2.C74H48O2.C54H40O2/c1-6-24-51(25-7-1)52-46-48-53(49-47-52)72-60-36-20-34-58(62-38-22-44-70-73(62)75(54-26-8-2-9-27-54,55-28-10-3-11-29-55)66-40-16-18-42-68(66)77-70)64(60)50-65-59(35-21-37-61(65)72)63-39-23-45-71-74(63)76(56-30-12-4-13-31-56,57-32-14-5-15-33-57)67-41-17-19-43-69(67)78-71;1-5-26-50(27-6-1)73(51-28-7-2-8-29-51)64-42-15-17-46-68(64)75-71-60(40-22-44-66(71)73)55-35-20-38-58-62(55)48-63-56(36-21-39-59(63)70(58)57-37-19-25-49-24-13-14-34-54(49)57)61-41-23-45-67-72(61)76-69-47-18-16-43-65(69)74(67,52-30-9-3-10-31-52)53-32-11-4-12-33-53;1-53(2)44-26-7-9-30-48(44)55-51-40(24-14-28-46(51)53)35-19-12-22-38-42(35)32-43-36(20-13-23-39(43)50(38)37-21-11-17-33-16-5-6-18-34(33)37)41-25-15-29-47-52(41)56-49-31-10-8-27-45(49)54(47,3)4/h1-50H;1-48H;5-32H,1-4H3
InChIKeyHTGDTNBUEGUCKH-UHFFFAOYSA-N
XLogP53.77
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002685.34
LogP ≤ 553.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 142384701
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-[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-(4,5-dinaphthalen-1-ylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333841
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-diphenylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155334577
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
4-[10-anthracen-2-yl-8-(9,9-dimethylxanthen-4-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333253
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 158645272
4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
CID 155333446

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2Oc2c(-c3cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6Oc6ccccc6C7(C)C)c5cc34)cccc21.c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5O6)c4cc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5O6)cccc34)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Oc3c(-c4cccc5c(-c6cccc7ccccc67)c6cccc(-c7cccc8c7Oc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is HTGDTNBUEGUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50O2.C74H48O2.C54H40O2/c1-6-24-51(25-7-1)52-46-48-53(49-47-52)72-60-36-20-34-58(62-38-22-44-70-73(62)75(54-26-8-2-9-27-54,55-28-10-3-11-29-55)66-40-16-18-42-68(66)77-70)64(60)50-65-59(35-21-37-61(65)72)63-39-23-45-71-74(63)76(56-30-12-4-13-31-56,57-32-14-5-15-33-57)67-41-17-19-43-69(67)78-71;1-5-26-50(27-6-1)73(51-28-7-2-8-29-51)64-42-15-17-46-68(64)75-71-60(40-22-44-66(71)73)55-35-20-38-58-62(55)48-63-56(36-21-39-59(63)70(58)57-37-19-25-49-24-13-14-34-54(49)57)61-41-23-45-67-72(61)76-69-47-18-16-43-65(69)74(67,52-30-9-3-10-31-52)53-32-11-4-12-33-53;1-53(2)44-26-7-9-30-48(44)55-51-40(24-14-28-46(51)53)35-19-12-22-38-42(35)32-43-36(20-13-23-39(43)50(38)37-21-11-17-33-16-5-6-18-34(33)37)41-25-15-29-47-52(41)56-49-31-10-8-27-45(49)54(47,3)4/h1-50H;1-48H;5-32H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2685.34 g/mol, XLogP of 53.77, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158581005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).