4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine

C34H26N2 — CID 59195491

IUPAC4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine
SMILESCc1ccc2c(-c3ccncn3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C34H26N2/c1-21-12-14-26-28(18-21)32(24-9-4-5-10-25(24)33(26)31-16-17-35-20-36-31)22-13-15-30-27(19-22)23-8-6-7-11-29(23)34(30,2)3/h4-20H,1-3H3
InChIKeyPULYIPGULBLMAJ-UHFFFAOYSA-N
MW462.60 g/mol
LogP8.73
Rot. Bonds2

About 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine

4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine (PubChem CID 59195491) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine.

Molecular Properties

Compound Name4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine
PubChem CID59195491
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine
SMILESCc1ccc2c(-c3ccncn3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
InChIInChI=1S/C34H26N2/c1-21-12-14-26-28(18-21)32(24-9-4-5-10-25(24)33(26)31-16-17-35-20-36-31)22-13-15-30-27(19-22)23-8-6-7-11-29(23)34(30,2)3/h4-20H,1-3H3
InChIKeyPULYIPGULBLMAJ-UHFFFAOYSA-N
XLogP8.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 58.73
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

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-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-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline
CID 158762850
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine
CID 59196063
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]fluoranthene;2'-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 157490912
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine?
The IUPAC name of 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine (CID 59195491) is 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine.
What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine?
The canonical SMILES for 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine is Cc1ccc2c(-c3ccncn3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.
What is the InChIKey of 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine?
The InChIKey is PULYIPGULBLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-21-12-14-26-28(18-21)32(24-9-4-5-10-25(24)33(26)31-16-17-35-20-36-31)22-13-15-30-27(19-22)23-8-6-7-11-29(23)34(30,2)3/h4-20H,1-3H3.
What are the key properties of 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine?
4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine has a molecular weight of 462.60 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine is sourced from PubChem (CID 59195491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).