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

C48H34N2 — CID 155765228

IUPAC4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc(-c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1ccccc1
InChIInChI=1S/C48H34N2/c1-48(38-25-12-5-13-26-38)41-28-15-14-27-40(41)46-42(48)30-29-39(45(46)34-19-8-3-9-20-34)36-23-16-24-37(31-36)44-32-43(33-17-6-2-7-18-33)49-47(50-44)35-21-10-4-11-22-35/h2-32H,1H3
InChIKeyFHJNDRCUQOPDEB-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.15
Rot. Bonds6

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

4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 155765228) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID155765228
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c1ccc(-c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1ccccc1
InChIInChI=1S/C48H34N2/c1-48(38-25-12-5-13-26-38)41-28-15-14-27-40(41)46-42(48)30-29-39(45(46)34-19-8-3-9-20-34)36-23-16-24-37(31-36)44-32-43(33-17-6-2-7-18-33)49-47(50-44)35-21-10-4-11-22-35/h2-32H,1H3
InChIKeyFHJNDRCUQOPDEB-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(9-methyl-9-phenyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765199
4-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632640
4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
CID 154618871
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765165
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 168778225
4-(3-dibenzothiophen-2-ylphenyl)-6-[4-(9-methyl-5,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603009
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-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine (CID 155765228) is 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2c1ccc(-c1cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c2-c1ccccc1.
What is the InChIKey of 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is FHJNDRCUQOPDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-48(38-25-12-5-13-26-38)41-28-15-14-27-40(41)46-42(48)30-29-39(45(46)34-19-8-3-9-20-34)36-23-16-24-37(31-36)44-32-43(33-17-6-2-7-18-33)49-47(50-44)35-21-10-4-11-22-35/h2-32H,1H3.
What are the key properties of 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 638.81 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 155765228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).