9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene

C51H40 — CID 59195744

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
SMILESCc1ccc2c(-c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C51H40/c1-31-22-25-42-43(28-31)48(33-24-27-38-36-16-11-13-21-45(36)51(4,5)47(38)30-33)40-18-8-9-19-41(40)49(42)39-17-7-6-14-34(39)32-23-26-37-35-15-10-12-20-44(35)50(2,3)46(37)29-32/h6-30H,1-5H3
InChIKeyDIKVMVCKVUUOGR-UHFFFAOYSA-N
MW652.88 g/mol
LogP13.92
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene (PubChem CID 59195744) has the molecular formula C51H40 and a molecular weight of 652.88 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
PubChem CID59195744
Molecular FormulaC51H40
Molecular Weight652.88 g/mol
Exact Mass652.31
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
SMILESCc1ccc2c(-c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C51H40/c1-31-22-25-42-43(28-31)48(33-24-27-38-36-16-11-13-21-45(36)51(4,5)47(38)30-33)40-18-8-9-19-41(40)49(42)39-17-7-6-14-34(39)32-23-26-37-35-15-10-12-20-44(35)50(2,3)46(37)29-32/h6-30H,1-5H3
InChIKeyDIKVMVCKVUUOGR-UHFFFAOYSA-N
XLogP13.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.88
LogP ≤ 513.92
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-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 145474396
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
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-2-methylquinoline
CID 59194985
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
CID 59195127

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene (CID 59195744) is 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene is Cc1ccc2c(-c3ccccc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene?
The InChIKey is DIKVMVCKVUUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40/c1-31-22-25-42-43(28-31)48(33-24-27-38-36-16-11-13-21-45(36)51(4,5)47(38)30-33)40-18-8-9-19-41(40)49(42)39-17-7-6-14-34(39)32-23-26-37-35-15-10-12-20-44(35)50(2,3)46(37)29-32/h6-30H,1-5H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene?
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene has a molecular weight of 652.88 g/mol, XLogP of 13.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene is sourced from PubChem (CID 59195744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).