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

C77H48 — CID 58174873

IUPAC2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)ccc4-5)cc3)c3ccccc23)cc1
InChIInChI=1S/C77H48/c1-3-19-51(20-4-1)73-61-25-7-11-29-65(61)75(66-30-12-8-26-62(66)73)53-39-35-49(36-40-53)55-43-45-59-60-46-44-56(48-72(60)77(71(59)47-55)69-33-17-15-23-57(69)58-24-16-18-34-70(58)77)50-37-41-54(42-38-50)76-67-31-13-9-27-63(67)74(52-21-5-2-6-22-52)64-28-10-14-32-68(64)76/h1-48H
InChIKeyUUJFFADULRTGQR-UHFFFAOYSA-N
MW973.23 g/mol
LogP20.64
Rot. Bonds6

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

2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 58174873) has the molecular formula C77H48 and a molecular weight of 973.23 g/mol. Its IUPAC name is 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID58174873
Molecular FormulaC77H48
Molecular Weight973.23 g/mol
Exact Mass972.38
IUPAC Name2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)ccc4-5)cc3)c3ccccc23)cc1
InChIInChI=1S/C77H48/c1-3-19-51(20-4-1)73-61-25-7-11-29-65(61)75(66-30-12-8-26-62(66)73)53-39-35-49(36-40-53)55-43-45-59-60-46-44-56(48-72(60)77(71(59)47-55)69-33-17-15-23-57(69)58-24-16-18-34-70(58)77)50-37-41-54(42-38-50)76-67-31-13-9-27-63(67)74(52-21-5-2-6-22-52)64-28-10-14-32-68(64)76/h1-48H
InChIKeyUUJFFADULRTGQR-UHFFFAOYSA-N
XLogP20.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.23
LogP ≤ 520.64
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'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
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
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
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
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
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

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] (CID 58174873) is 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)cc6)ccc4-5)cc3)c3ccccc23)cc1.
What is the InChIKey of 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is UUJFFADULRTGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48/c1-3-19-51(20-4-1)73-61-25-7-11-29-65(61)75(66-30-12-8-26-62(66)73)53-39-35-49(36-40-53)55-43-45-59-60-46-44-56(48-72(60)77(71(59)47-55)69-33-17-15-23-57(69)58-24-16-18-34-70(58)77)50-37-41-54(42-38-50)76-67-31-13-9-27-63(67)74(52-21-5-2-6-22-52)64-28-10-14-32-68(64)76/h1-48H.
What are the key properties of 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]?
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 973.23 g/mol, XLogP of 20.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 58174873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).