2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene

C68H50 — CID 141393224

IUPAC2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2c1
InChIInChI=1S/C68H50/c1-66(2,3)51-42-43-58-59(44-51)65(46-36-40-50(41-37-46)68(48-22-8-5-9-23-48)62-32-18-14-26-54(62)55-27-15-19-33-63(55)68)57-29-11-10-28-56(57)64(58)45-34-38-49(39-35-45)67(47-20-6-4-7-21-47)60-30-16-12-24-52(60)53-25-13-17-31-61(53)67/h4-44H,1-3H3
InChIKeyPMYDQIYQFUYPNK-UHFFFAOYSA-N
MW867.15 g/mol
LogP17.35
Rot. Bonds6

About 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene

2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene (PubChem CID 141393224) has the molecular formula C68H50 and a molecular weight of 867.15 g/mol. Its IUPAC name is 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene.

Molecular Properties

Compound Name2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene
PubChem CID141393224
Molecular FormulaC68H50
Molecular Weight867.15 g/mol
Exact Mass866.39
IUPAC Name2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2c1
InChIInChI=1S/C68H50/c1-66(2,3)51-42-43-58-59(44-51)65(46-36-40-50(41-37-46)68(48-22-8-5-9-23-48)62-32-18-14-26-54(62)55-27-15-19-33-63(55)68)57-29-11-10-28-56(57)64(58)45-34-38-49(39-35-45)67(47-20-6-4-7-21-47)60-30-16-12-24-52(60)53-25-13-17-31-61(53)67/h4-44H,1-3H3
InChIKeyPMYDQIYQFUYPNK-UHFFFAOYSA-N
XLogP17.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.15
LogP ≤ 517.35
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

9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 22895266
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
(9,9-diphenylfluoren-2-yl)-[4-[10-[4-[(9,9-diphenylfluoren-2-yl)-dimethylsilyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethylsilane
CID 123920496
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-tert-butyl-6-naphthalen-2-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;2-(9,9-diphenylfluoren-3-yl)-10-phenyl-9-(4-phenylnaphthalen-1-yl)anthracene;9-(5-naphthalen-1-ylnaphthalen-1-yl)-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
CID 159745949
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
(9,9-diphenylfluoren-2-yl)-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123170275
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene?
The IUPAC name of 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene (CID 141393224) is 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene.
What is the SMILES notation for 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene?
The canonical SMILES for 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene is CC(C)(C)c1ccc2c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2c1.
What is the InChIKey of 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene?
The InChIKey is PMYDQIYQFUYPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50/c1-66(2,3)51-42-43-58-59(44-51)65(46-36-40-50(41-37-46)68(48-22-8-5-9-23-48)62-32-18-14-26-54(62)55-27-15-19-33-63(55)68)57-29-11-10-28-56(57)64(58)45-34-38-49(39-35-45)67(47-20-6-4-7-21-47)60-30-16-12-24-52(60)53-25-13-17-31-61(53)67/h4-44H,1-3H3.
What are the key properties of 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene?
2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene has a molecular weight of 867.15 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,10-bis[4-(9-phenylfluoren-9-yl)phenyl]anthracene is sourced from PubChem (CID 141393224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).