2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane

C54H41N3 — CID 142385444

IUPAC2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
SMILESCC.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C52H35N3.C2H6/c1-4-14-36(15-5-1)38-18-12-20-40(32-38)49-35-50(55-51(54-49)42-21-13-19-39(33-42)37-16-6-2-7-17-37)41-26-27-46-45-24-10-11-25-47(45)52(48(46)34-41,43-22-8-3-9-23-43)44-28-30-53-31-29-44;1-2/h1-35H;1-2H3
InChIKeyLAKGZYYNKVJEMT-UHFFFAOYSA-N
MW731.94 g/mol
LogP13.60
Rot. Bonds7

About 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane

2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane (PubChem CID 142385444) has the molecular formula C54H41N3 and a molecular weight of 731.94 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane.

Molecular Properties

Compound Name2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
PubChem CID142385444
Molecular FormulaC54H41N3
Molecular Weight731.94 g/mol
Exact Mass731.33
IUPAC Name2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
SMILESCC.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C52H35N3.C2H6/c1-4-14-36(15-5-1)38-18-12-20-40(32-38)49-35-50(55-51(54-49)42-21-13-19-39(33-42)37-16-6-2-7-17-37)41-26-27-46-45-24-10-11-25-47(45)52(48(46)34-41,43-22-8-3-9-23-43)44-28-30-53-31-29-44;1-2/h1-35H;1-2H3
InChIKeyLAKGZYYNKVJEMT-UHFFFAOYSA-N
XLogP13.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.94
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane 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-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
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
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
4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631917
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-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
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-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane?
The IUPAC name of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane (CID 142385444) is 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane.
What is the SMILES notation for 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane?
The canonical SMILES for 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane is CC.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccncc4)c4ccccc4-5)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane?
The InChIKey is LAKGZYYNKVJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.C2H6/c1-4-14-36(15-5-1)38-18-12-20-40(32-38)49-35-50(55-51(54-49)42-21-13-19-39(33-42)37-16-6-2-7-17-37)41-26-27-46-45-24-10-11-25-47(45)52(48(46)34-41,43-22-8-3-9-23-43)44-28-30-53-31-29-44;1-2/h1-35H;1-2H3.
What are the key properties of 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane?
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane has a molecular weight of 731.94 g/mol, XLogP of 13.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane is sourced from PubChem (CID 142385444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).