2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine

C46H31N3 — CID 142385446

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C46H31N3/c1-4-12-32(13-5-1)33-20-22-34(23-21-33)43-31-44(49-45(48-43)35-14-6-2-7-15-35)36-24-25-40-39-18-10-11-19-41(39)46(42(40)30-36,37-16-8-3-9-17-37)38-26-28-47-29-27-38/h1-31H
InChIKeyFYLDLIPYPLEALJ-UHFFFAOYSA-N
MW625.78 g/mol
LogP10.90
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine

2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine (PubChem CID 142385446) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
PubChem CID142385446
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C46H31N3/c1-4-12-32(13-5-1)33-20-22-34(23-21-33)43-31-44(49-45(48-43)35-14-6-2-7-15-35)36-24-25-40-39-18-10-11-19-41(39)46(42(40)30-36,37-16-8-3-9-17-37)38-26-28-47-29-27-38/h1-31H
InChIKeyFYLDLIPYPLEALJ-UHFFFAOYSA-N
XLogP10.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9,9-diphenylfluoren-2-yl)-4-[4-[5-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(4-phenylphenyl)-2-[4-[5-[4-[4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-pyridin-4-ylpyrimidine;4-(4-phenylphenyl)-6-[4-[5-[4-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-2-pyridin-4-ylpyrimidine;4-phenyl-2-[4-[5-[4-(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-pyridin-4-ylpyrimidine
CID 160546703
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
CID 142385444
4-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 137452128
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572
4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine
CID 154597082
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159851053
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine (CID 142385446) is 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine?
The InChIKey is FYLDLIPYPLEALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-4-12-32(13-5-1)33-20-22-34(23-21-33)43-31-44(49-45(48-43)35-14-6-2-7-15-35)36-24-25-40-39-18-10-11-19-41(39)46(42(40)30-36,37-16-8-3-9-17-37)38-26-28-47-29-27-38/h1-31H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine?
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine has a molecular weight of 625.78 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine is sourced from PubChem (CID 142385446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).