9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

C59H36 — CID 140961856

IUPAC9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C59H36/c1-2-16-37(17-3-1)38-30-32-40(33-31-38)55-46-24-8-10-26-48(46)56(49-27-11-9-25-47(49)55)51-36-54-57(45-23-7-6-20-42(45)51)50-35-34-39-18-4-5-19-41(39)58(50)59(54)52-28-14-12-21-43(52)44-22-13-15-29-53(44)59/h1-36H
InChIKeyJLNGCSUEUFVGIA-UHFFFAOYSA-N
MW744.94 g/mol
LogP15.64
Rot. Bonds3

About 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (PubChem CID 140961856) has the molecular formula C59H36 and a molecular weight of 744.94 g/mol. Its IUPAC name is 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].

Molecular Properties

Compound Name9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
PubChem CID140961856
Molecular FormulaC59H36
Molecular Weight744.94 g/mol
Exact Mass744.28
IUPAC Name9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1
InChIInChI=1S/C59H36/c1-2-16-37(17-3-1)38-30-32-40(33-31-38)55-46-24-8-10-26-48(46)56(49-27-11-9-25-47(49)55)51-36-54-57(45-23-7-6-20-42(45)51)50-35-34-39-18-4-5-19-41(39)58(50)59(54)52-28-14-12-21-43(52)44-22-13-15-29-53(44)59/h1-36H
InChIKeyJLNGCSUEUFVGIA-UHFFFAOYSA-N
XLogP15.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] with MolForge

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Related Compounds

9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961805
5'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962676
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 140962790
9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962879
9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962679
22'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962406
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962518
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446
2-N-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzene-1,2-diamine;toluene
CID 145353167
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873

Frequently Asked Questions

What is the IUPAC name of 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The IUPAC name of 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (CID 140961856) is 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].
What is the SMILES notation for 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The canonical SMILES for 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccc6ccccc6c4C54c5ccccc5-c5ccccc54)c4ccccc34)cc2)cc1.
What is the InChIKey of 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
The InChIKey is JLNGCSUEUFVGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36/c1-2-16-37(17-3-1)38-30-32-40(33-31-38)55-46-24-8-10-26-48(46)56(49-27-11-9-25-47(49)55)51-36-54-57(45-23-7-6-20-42(45)51)50-35-34-39-18-4-5-19-41(39)58(50)59(54)52-28-14-12-21-43(52)44-22-13-15-29-53(44)59/h1-36H.
What are the key properties of 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?
9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] has a molecular weight of 744.94 g/mol, XLogP of 15.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is sourced from PubChem (CID 140961856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).