10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine

C50H39N — CID 59196351

IUPAC10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(N4c5ccccc5C(C)(C)c5ccccc54)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C50H39N/c1-49(2)41-21-11-10-18-35(41)39-31-34(27-29-42(39)49)47-36-19-8-9-20-37(36)48(38-28-26-33(30-40(38)47)32-16-6-5-7-17-32)51-45-24-14-12-22-43(45)50(3,4)44-23-13-15-25-46(44)51/h5-31H,1-4H3
InChIKeyTVMLYUJMEBMLAH-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds3

About 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine

10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine (PubChem CID 59196351) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
PubChem CID59196351
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC Name10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(N4c5ccccc5C(C)(C)c5ccccc54)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C50H39N/c1-49(2)41-21-11-10-18-35(41)39-31-34(27-29-42(39)49)47-36-19-8-9-20-37(36)48(38-28-26-33(30-40(38)47)32-16-6-5-7-17-32)51-45-24-14-12-22-43(45)50(3,4)44-23-13-15-25-46(44)51/h5-31H,1-4H3
InChIKeyTVMLYUJMEBMLAH-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
CID 59195940
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 123220371
10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
CID 59196394
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909

Frequently Asked Questions

What is the IUPAC name of 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine (CID 59196351) is 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(N4c5ccccc5C(C)(C)c5ccccc54)c4ccc(-c5ccccc5)cc34)ccc21.
What is the InChIKey of 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
The InChIKey is TVMLYUJMEBMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-49(2)41-21-11-10-18-35(41)39-31-34(27-29-42(39)49)47-36-19-8-9-20-37(36)48(38-28-26-33(30-40(38)47)32-16-6-5-7-17-32)51-45-24-14-12-22-43(45)50(3,4)44-23-13-15-25-46(44)51/h5-31H,1-4H3.
What are the key properties of 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine has a molecular weight of 653.87 g/mol, XLogP of 13.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59196351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).