2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]

C65H40O — CID 59096369

IUPAC2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc43)c3ccccc23)cc1
InChIInChI=1S/C65H40O/c1-3-19-41(20-4-1)61-47-24-7-11-28-51(47)63(52-29-12-8-25-48(52)61)43-35-37-46-45-23-15-16-32-55(45)65(57(46)39-43)56-33-17-18-34-59(56)66-60-38-36-44(40-58(60)65)64-53-30-13-9-26-49(53)62(42-21-5-2-6-22-42)50-27-10-14-31-54(50)64/h1-40H
InChIKeyJTXSTZSQPVPGNR-UHFFFAOYSA-N
MW837.03 g/mol
LogP17.44
Rot. Bonds4

About 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]

2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 59096369) has the molecular formula C65H40O and a molecular weight of 837.03 g/mol. Its IUPAC name is 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID59096369
Molecular FormulaC65H40O
Molecular Weight837.03 g/mol
Exact Mass836.31
IUPAC Name2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc43)c3ccccc23)cc1
InChIInChI=1S/C65H40O/c1-3-19-41(20-4-1)61-47-24-7-11-28-51(47)63(52-29-12-8-25-48(52)61)43-35-37-46-45-23-15-16-32-55(45)65(57(46)39-43)56-33-17-18-34-59(56)66-60-38-36-44(40-58(60)65)64-53-30-13-9-26-49(53)62(42-21-5-2-6-22-42)50-27-10-14-31-54(50)64/h1-40H
InChIKeyJTXSTZSQPVPGNR-UHFFFAOYSA-N
XLogP17.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.03
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
CID 146215869
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]
CID 118521003
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
7-(4,5-diphenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 146215858
21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
CID 164737400
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-(10-phenylanthracen-9-yl)-5-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)pyridine
CID 147083313
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene] (CID 59096369) is 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene] is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc43)c3ccccc23)cc1.
What is the InChIKey of 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is JTXSTZSQPVPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40O/c1-3-19-41(20-4-1)61-47-24-7-11-28-51(47)63(52-29-12-8-25-48(52)61)43-35-37-46-45-23-15-16-32-55(45)65(57(46)39-43)56-33-17-18-34-59(56)66-60-38-36-44(40-58(60)65)64-53-30-13-9-26-49(53)62(42-21-5-2-6-22-42)50-27-10-14-31-54(50)64/h1-40H.
What are the key properties of 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]?
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 837.03 g/mol, XLogP of 17.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 59096369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).