9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene

C51H36 — CID 59196370

IUPAC9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C51H36/c1-51(2)46-25-13-12-23-43(46)50-44(24-14-26-47(50)51)49-41-22-11-10-21-40(41)48(42-30-29-36(32-45(42)49)33-15-4-3-5-16-33)39-20-9-8-19-38(39)37-28-27-34-17-6-7-18-35(34)31-37/h3-32H,1-2H3
InChIKeyHAVOBJNKDSHJMQ-UHFFFAOYSA-N
MW648.85 g/mol
LogP14.12
Rot. Bonds4

About 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene

9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene (PubChem CID 59196370) has the molecular formula C51H36 and a molecular weight of 648.85 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
PubChem CID59196370
Molecular FormulaC51H36
Molecular Weight648.85 g/mol
Exact Mass648.28
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C51H36/c1-51(2)46-25-13-12-23-43(46)50-44(24-14-26-47(50)51)49-41-22-11-10-21-40(41)48(42-30-29-36(32-45(42)49)33-15-4-3-5-16-33)39-20-9-8-19-38(39)37-28-27-34-17-6-7-18-35(34)31-37/h3-32H,1-2H3
InChIKeyHAVOBJNKDSHJMQ-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 514.12
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-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158036486
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
CID 59194702
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(2-naphthalen-2-ylphenyl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 159641942
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
2,6-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,10-bis(2-phenylphenyl)anthracene
CID 58251721
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene (CID 59196370) is 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc34)cccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene?
The InChIKey is HAVOBJNKDSHJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36/c1-51(2)46-25-13-12-23-43(46)50-44(24-14-26-47(50)51)49-41-22-11-10-21-40(41)48(42-30-29-36(32-45(42)49)33-15-4-3-5-16-33)39-20-9-8-19-38(39)37-28-27-34-17-6-7-18-35(34)31-37/h3-32H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene?
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene has a molecular weight of 648.85 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene is sourced from PubChem (CID 59196370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).