4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]

C76H46O2 — CID 155333446

IUPAC4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3cc3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C76H46O2/c1-2-22-47(23-3-1)48-24-4-5-29-55(48)72-56-32-18-30-49(58-34-20-42-68-73(58)77-70-44-16-14-40-66(70)75(68)62-36-10-6-25-51(62)52-26-7-11-37-63(52)75)60(56)46-61-50(31-19-33-57(61)72)59-35-21-43-69-74(59)78-71-45-17-15-41-67(71)76(69)64-38-12-8-27-53(64)54-28-9-13-39-65(54)76/h1-46H
InChIKeyXIWYUOAWWXSGGF-UHFFFAOYSA-N
MW991.20 g/mol
LogP19.60
Rot. Bonds4

About 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]

4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene] (PubChem CID 155333446) has the molecular formula C76H46O2 and a molecular weight of 991.20 g/mol. Its IUPAC name is 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
PubChem CID155333446
Molecular FormulaC76H46O2
Molecular Weight991.20 g/mol
Exact Mass990.35
IUPAC Name4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3cc3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1
InChIInChI=1S/C76H46O2/c1-2-22-47(23-3-1)48-24-4-5-29-55(48)72-56-32-18-30-49(58-34-20-42-68-73(58)77-70-44-16-14-40-66(70)75(68)62-36-10-6-25-51(62)52-26-7-11-37-63(52)75)60(56)46-61-50(31-19-33-57(61)72)59-35-21-43-69-74(59)78-71-45-17-15-41-67(71)76(69)64-38-12-8-27-53(64)54-28-9-13-39-65(54)76/h1-46H
InChIKeyXIWYUOAWWXSGGF-UHFFFAOYSA-N
XLogP19.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.20
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
CID 155333842
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388366
4-[8-(9,9-diphenylxanthen-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-diphenylxanthene
CID 155334418
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381

Frequently Asked Questions

What is the IUPAC name of 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene] (CID 155333446) is 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene] is c1ccc(-c2ccccc2-c2c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3cc3c(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cccc23)cc1.
What is the InChIKey of 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is XIWYUOAWWXSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46O2/c1-2-22-47(23-3-1)48-24-4-5-29-55(48)72-56-32-18-30-49(58-34-20-42-68-73(58)77-70-44-16-14-40-66(70)75(68)62-36-10-6-25-51(62)52-26-7-11-37-63(52)75)60(56)46-61-50(31-19-33-57(61)72)59-35-21-43-69-74(59)78-71-45-17-15-41-67(71)76(69)64-38-12-8-27-53(64)54-28-9-13-39-65(54)76/h1-46H.
What are the key properties of 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]?
4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 991.20 g/mol, XLogP of 19.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 155333446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).