2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]

C71H44 — CID 58174877

IUPAC2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc4-5)cc3)c3ccccc23)cc1
InChIInChI=1S/C71H44/c1-3-19-46(20-4-1)67-55-25-7-9-27-57(55)69(58-28-10-8-26-56(58)67)48-37-35-45(36-38-48)49-39-41-53-54-42-40-50(44-66(54)71(65(53)43-49)63-33-17-15-23-51(63)52-24-16-18-34-64(52)71)70-61-31-13-11-29-59(61)68(47-21-5-2-6-22-47)60-30-12-14-32-62(60)70/h1-44H
InChIKeyCLZNIYCCOPIABM-UHFFFAOYSA-N
MW897.13 g/mol
LogP18.98
Rot. Bonds5

About 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]

2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 58174877) has the molecular formula C71H44 and a molecular weight of 897.13 g/mol. Its IUPAC name is 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID58174877
Molecular FormulaC71H44
Molecular Weight897.13 g/mol
Exact Mass896.34
IUPAC Name2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc4-5)cc3)c3ccccc23)cc1
InChIInChI=1S/C71H44/c1-3-19-46(20-4-1)67-55-25-7-9-27-57(55)69(58-28-10-8-26-56(58)67)48-37-35-45(36-38-48)49-39-41-53-54-42-40-50(44-66(54)71(65(53)43-49)63-33-17-15-23-51(63)52-24-16-18-34-64(52)71)70-61-31-13-11-29-59(61)68(47-21-5-2-6-22-47)60-30-12-14-32-62(60)70/h1-44H
InChIKeyCLZNIYCCOPIABM-UHFFFAOYSA-N
XLogP18.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.13
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2-[9,10-bis(2,3,4,5,6-pentakis-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-9,9'-spirobi[fluorene]
CID 167352769
2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 158891851
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
CID 23590230
CID 23590230
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939

Frequently Asked Questions

What is the IUPAC name of 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] (CID 58174877) is 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc4-5)cc3)c3ccccc23)cc1.
What is the InChIKey of 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is CLZNIYCCOPIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44/c1-3-19-46(20-4-1)67-55-25-7-9-27-57(55)69(58-28-10-8-26-56(58)67)48-37-35-45(36-38-48)49-39-41-53-54-42-40-50(44-66(54)71(65(53)43-49)63-33-17-15-23-51(63)52-24-16-18-34-64(52)71)70-61-31-13-11-29-59(61)68(47-21-5-2-6-22-47)60-30-12-14-32-62(60)70/h1-44H.
What are the key properties of 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 897.13 g/mol, XLogP of 18.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 58174877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).