4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine

C47H33N3 — CID 155765199

IUPAC4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc(-c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1cccnc1
InChIInChI=1S/C47H33N3/c1-47(37-22-9-4-10-23-37)40-25-12-11-24-39(40)45-41(47)27-26-38(44(45)36-21-14-28-48-31-36)34-19-13-20-35(29-34)43-30-42(32-15-5-2-6-16-32)49-46(50-43)33-17-7-3-8-18-33/h2-31H,1H3
InChIKeyOELPNFPCRSWOJN-UHFFFAOYSA-N
MW639.80 g/mol
LogP11.54
Rot. Bonds6

About 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 155765199) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID155765199
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc(-c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1cccnc1
InChIInChI=1S/C47H33N3/c1-47(37-22-9-4-10-23-37)40-25-12-11-24-39(40)45-41(47)27-26-38(44(45)36-21-14-28-48-31-36)34-19-13-20-35(29-34)43-30-42(32-15-5-2-6-16-32)49-46(50-43)33-17-7-3-8-18-33/h2-31H,1H3
InChIKeyOELPNFPCRSWOJN-UHFFFAOYSA-N
XLogP11.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765228
2-[3-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765194
4-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241
4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632410
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171585653
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584348
2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632640
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
CID 154618871
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine (CID 155765199) is 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2c1ccc(-c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1cccnc1.
What is the InChIKey of 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is OELPNFPCRSWOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-47(37-22-9-4-10-23-37)40-25-12-11-24-39(40)45-41(47)27-26-38(44(45)36-21-14-28-48-31-36)34-19-13-20-35(29-34)43-30-42(32-15-5-2-6-16-32)49-46(50-43)33-17-7-3-8-18-33/h2-31H,1H3.
What are the key properties of 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 639.80 g/mol, XLogP of 11.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 155765199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).