4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine

C37H28N2 — CID 154618871

IUPAC4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1-2
InChIInChI=1S/C37H28N2/c1-25-21-22-29-32(23-25)37(2,28-17-10-5-11-18-28)31-20-12-19-30(35(29)31)34-24-33(26-13-6-3-7-14-26)38-36(39-34)27-15-8-4-9-16-27/h3-24H,1-2H3
InChIKeyVAKJVQCFRDZJHW-UHFFFAOYSA-N
MW500.65 g/mol
LogP9.12
Rot. Bonds4

About 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine

4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine (PubChem CID 154618871) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
PubChem CID154618871
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
SMILESCc1ccc2c(c1)C(C)(c1ccccc1)c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1-2
InChIInChI=1S/C37H28N2/c1-25-21-22-29-32(23-25)37(2,28-17-10-5-11-18-28)31-20-12-19-30(35(29)31)34-24-33(26-13-6-3-7-14-26)38-36(39-34)27-15-8-4-9-16-27/h3-24H,1-2H3
InChIKeyVAKJVQCFRDZJHW-UHFFFAOYSA-N
XLogP9.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765228
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632640
4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 168778225
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602125
4-(4-dibenzothiophen-2-ylphenyl)-6-(9-methyl-5,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602038
4-(3-dibenzothiophen-2-ylphenyl)-6-[4-(9-methyl-5,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603009
4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765199
4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602778
4-(3-dibenzothiophen-3-ylphenyl)-6-(9-methyl-5,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603537

Frequently Asked Questions

What is the IUPAC name of 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine (CID 154618871) is 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine is Cc1ccc2c(c1)C(C)(c1ccccc1)c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1-2.
What is the InChIKey of 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine?
The InChIKey is VAKJVQCFRDZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-25-21-22-29-32(23-25)37(2,28-17-10-5-11-18-28)31-20-12-19-30(35(29)31)34-24-33(26-13-6-3-7-14-26)38-36(39-34)27-15-8-4-9-16-27/h3-24H,1-2H3.
What are the key properties of 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine?
4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine has a molecular weight of 500.65 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 154618871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).