2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine

C39H28N2 — CID 59195756

IUPAC2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ncccn4)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C39H28N2/c1-39(2)34-16-9-8-13-28(34)32-24-27(18-20-35(32)39)36-29-14-6-7-15-30(29)37(38-40-21-10-22-41-38)31-19-17-26(23-33(31)36)25-11-4-3-5-12-25/h3-24H,1-2H3
InChIKeyGIYOAGKQFZZVNV-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.09
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine

2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine (PubChem CID 59195756) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
PubChem CID59195756
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ncccn4)c4ccc(-c5ccccc5)cc34)ccc21
InChIInChI=1S/C39H28N2/c1-39(2)34-16-9-8-13-28(34)32-24-27(18-20-35(32)39)36-29-14-6-7-15-30(29)37(38-40-21-10-22-41-38)31-19-17-26(23-33(31)36)25-11-4-3-5-12-25/h3-24H,1-2H3
InChIKeyGIYOAGKQFZZVNV-UHFFFAOYSA-N
XLogP10.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
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-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline
CID 59196250
4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine
CID 160518735
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine (CID 59195756) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ncccn4)c4ccc(-c5ccccc5)cc34)ccc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine?
The InChIKey is GIYOAGKQFZZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-39(2)34-16-9-8-13-28(34)32-24-27(18-20-35(32)39)36-29-14-6-7-15-30(29)37(38-40-21-10-22-41-38)31-19-17-26(23-33(31)36)25-11-4-3-5-12-25/h3-24H,1-2H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine?
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine has a molecular weight of 524.67 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine is sourced from PubChem (CID 59195756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).