9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene

C57H44 — CID 157309087

IUPAC9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3c(cccc3-c3c5ccccc5c(C5C6CC7CC(C6)CC5C7)c5ccccc35)C4)c3ccccc23)cc1
InChIInChI=1S/C57H44/c1-2-13-36(14-3-1)53-42-16-4-6-18-44(42)54(45-19-7-5-17-43(45)53)39-26-25-37-32-38-15-12-24-50(55(38)51(37)33-39)56-46-20-8-10-22-48(46)57(49-23-11-9-21-47(49)56)52-40-28-34-27-35(30-40)31-41(52)29-34/h1-26,33-35,40-41,52H,27-32H2
InChIKeyHDAQRISPHZCLPL-UHFFFAOYSA-N
MW728.98 g/mol
LogP15.41
Rot. Bonds4

About 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene

9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene (PubChem CID 157309087) has the molecular formula C57H44 and a molecular weight of 728.98 g/mol. Its IUPAC name is 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene.

Molecular Properties

Compound Name9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene
PubChem CID157309087
Molecular FormulaC57H44
Molecular Weight728.98 g/mol
Exact Mass728.34
IUPAC Name9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3c(cccc3-c3c5ccccc5c(C5C6CC7CC(C6)CC5C7)c5ccccc35)C4)c3ccccc23)cc1
InChIInChI=1S/C57H44/c1-2-13-36(14-3-1)53-42-16-4-6-18-44(42)54(45-19-7-5-17-43(45)53)39-26-25-37-32-38-15-12-24-50(55(38)51(37)33-39)56-46-20-8-10-22-48(46)57(49-23-11-9-21-47(49)56)52-40-28-34-27-35(30-40)31-41(52)29-34/h1-26,33-35,40-41,52H,27-32H2
InChIKeyHDAQRISPHZCLPL-UHFFFAOYSA-N
XLogP15.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.98
LogP ≤ 515.41
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-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
2,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene
CID 160966210
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
CID 165001984
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
1-[10-(2-adamantyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-cyclohexylanthracen-9-yl)-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran;1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzofuran
CID 158080872
5-bromo-3-phenyl-9H-fluorene
CID 157361049
9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 171447247
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
CID 143811504
7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424590
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706319

Frequently Asked Questions

What is the IUPAC name of 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene?
The IUPAC name of 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene (CID 157309087) is 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene.
What is the SMILES notation for 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene?
The canonical SMILES for 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3c(cccc3-c3c5ccccc5c(C5C6CC7CC(C6)CC5C7)c5ccccc35)C4)c3ccccc23)cc1.
What is the InChIKey of 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene?
The InChIKey is HDAQRISPHZCLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44/c1-2-13-36(14-3-1)53-42-16-4-6-18-44(42)54(45-19-7-5-17-43(45)53)39-26-25-37-32-38-15-12-24-50(55(38)51(37)33-39)56-46-20-8-10-22-48(46)57(49-23-11-9-21-47(49)56)52-40-28-34-27-35(30-40)31-41(52)29-34/h1-26,33-35,40-41,52H,27-32H2.
What are the key properties of 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene?
9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene has a molecular weight of 728.98 g/mol, XLogP of 15.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-adamantyl)-10-[6-(10-phenylanthracen-9-yl)-9H-fluoren-4-yl]anthracene is sourced from PubChem (CID 157309087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).