3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]

C57H34O — CID 153483785

IUPAC3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C57H34O/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-43-19-4-6-21-45(43)56(46-22-7-5-20-44(46)55)38-30-31-42-48-33-47-41-18-10-13-25-51(41)57(52(47)34-54(48)58-53(42)32-38)49-23-11-8-16-39(49)40-17-9-12-24-50(40)57/h1-34H
InChIKeyCFKSLQJWCRSVON-UHFFFAOYSA-N
MW734.90 g/mol
LogP15.24
Rot. Bonds3

About 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]

3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] (PubChem CID 153483785) has the molecular formula C57H34O and a molecular weight of 734.90 g/mol. Its IUPAC name is 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran].

Molecular Properties

Compound Name3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
PubChem CID153483785
Molecular FormulaC57H34O
Molecular Weight734.90 g/mol
Exact Mass734.26
IUPAC Name3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C57H34O/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-43-19-4-6-21-45(43)56(46-22-7-5-20-44(46)55)38-30-31-42-48-33-47-41-18-10-13-25-51(41)57(52(47)34-54(48)58-53(42)32-38)49-23-11-8-16-39(49)40-17-9-12-24-50(40)57/h1-34H
InChIKeyCFKSLQJWCRSVON-UHFFFAOYSA-N
XLogP15.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.24
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

3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
14',21'-bis(3,5-diphenylphenyl)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175351
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
CID 129023365
CID 129023365
9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
CID 153483840
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylanthracen-9-yl)dibenzofuran
CID 137493892
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287979

Frequently Asked Questions

What is the IUPAC name of 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The IUPAC name of 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] (CID 153483785) is 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran].
What is the SMILES notation for 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The canonical SMILES for 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1.
What is the InChIKey of 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The InChIKey is CFKSLQJWCRSVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34O/c1-2-14-35(15-3-1)36-26-28-37(29-27-36)55-43-19-4-6-21-45(43)56(46-22-7-5-20-44(46)55)38-30-31-42-48-33-47-41-18-10-13-25-51(41)57(52(47)34-54(48)58-53(42)32-38)49-23-11-8-16-39(49)40-17-9-12-24-50(40)57/h1-34H.
What are the key properties of 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] has a molecular weight of 734.90 g/mol, XLogP of 15.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] is sourced from PubChem (CID 153483785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).