9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene

C57H46 — CID 140843433

IUPAC9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
SMILESCCC1(C(C)(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
InChIInChI=1S/C57H46/c1-5-57(56(2,3)4)52-27-17-16-22-46(52)47-33-32-42(37-53(47)57)55-50-25-14-12-23-48(50)54(49-24-13-15-26-51(49)55)41-30-28-40(29-31-41)45-35-43(38-18-8-6-9-19-38)34-44(36-45)39-20-10-7-11-21-39/h6-37H,5H2,1-4H3
InChIKeyYQJQVCLOMKMMSO-UHFFFAOYSA-N
MW731.00 g/mol
LogP16.05
Rot. Bonds6

About 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene

9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene (PubChem CID 140843433) has the molecular formula C57H46 and a molecular weight of 731.00 g/mol. Its IUPAC name is 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
PubChem CID140843433
Molecular FormulaC57H46
Molecular Weight731.00 g/mol
Exact Mass730.36
IUPAC Name9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
SMILESCCC1(C(C)(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
InChIInChI=1S/C57H46/c1-5-57(56(2,3)4)52-27-17-16-22-46(52)47-33-32-42(37-53(47)57)55-50-25-14-12-23-48(50)54(49-24-13-15-26-51(49)55)41-30-28-40(29-31-41)45-35-43(38-18-8-6-9-19-38)34-44(36-45)39-20-10-7-11-21-39/h6-37H,5H2,1-4H3
InChIKeyYQJQVCLOMKMMSO-UHFFFAOYSA-N
XLogP16.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.00
LogP ≤ 516.05
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-(9-tert-butyl-9-propylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene
CID 140843453
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
23,23-diethyl-20-(10-phenylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 123175409
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039

Frequently Asked Questions

What is the IUPAC name of 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
The IUPAC name of 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene (CID 140843433) is 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene is CCC1(C(C)(C)C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.
What is the InChIKey of 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
The InChIKey is YQJQVCLOMKMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46/c1-5-57(56(2,3)4)52-27-17-16-22-46(52)47-33-32-42(37-53(47)57)55-50-25-14-12-23-48(50)54(49-24-13-15-26-51(49)55)41-30-28-40(29-31-41)45-35-43(38-18-8-6-9-19-38)34-44(36-45)39-20-10-7-11-21-39/h6-37H,5H2,1-4H3.
What are the key properties of 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene?
9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene has a molecular weight of 731.00 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-tert-butyl-9-ethylfluoren-2-yl)-10-[4-(3,5-diphenylphenyl)phenyl]anthracene is sourced from PubChem (CID 140843433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).