2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine

C56H37N3 — CID 154597068

IUPAC2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccncc7)c7ccccc67)c5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H37N3/c1-3-15-39(16-4-1)53-37-54(59-55(58-53)40-17-5-2-6-18-40)42-20-14-22-44(36-42)56(51-27-11-9-25-49(51)50-26-10-12-28-52(50)56)43-21-13-19-41(35-43)46-30-29-45(38-31-33-57-34-32-38)47-23-7-8-24-48(46)47/h1-37H
InChIKeyVDMAMKYVNDDXJO-UHFFFAOYSA-N
MW751.93 g/mol
LogP13.72
Rot. Bonds7

About 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine

2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine (PubChem CID 154597068) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine
PubChem CID154597068
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC Name2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccncc7)c7ccccc67)c5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H37N3/c1-3-15-39(16-4-1)53-37-54(59-55(58-53)40-17-5-2-6-18-40)42-20-14-22-44(36-42)56(51-27-11-9-25-49(51)50-26-10-12-28-52(50)56)43-21-13-19-41(35-43)46-30-29-45(38-31-33-57-34-32-38)47-23-7-8-24-48(46)47/h1-37H
InChIKeyVDMAMKYVNDDXJO-UHFFFAOYSA-N
XLogP13.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]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
4,6-diphenyl-2-[3-[9-[3-(4-pyridin-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]pyrimidine
CID 154597082
2-phenyl-4-(4-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine
CID 142385446
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
4-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 137452128
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine (CID 154597068) is 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(C4(c5cccc(-c6ccc(-c7ccncc7)c7ccccc67)c5)c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
The InChIKey is VDMAMKYVNDDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-3-15-39(16-4-1)53-37-54(59-55(58-53)40-17-5-2-6-18-40)42-20-14-22-44(36-42)56(51-27-11-9-25-49(51)50-26-10-12-28-52(50)56)43-21-13-19-41(35-43)46-30-29-45(38-31-33-57-34-32-38)47-23-7-8-24-48(46)47/h1-37H.
What are the key properties of 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine?
2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine has a molecular weight of 751.93 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[9-[3-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]fluoren-9-yl]phenyl]pyrimidine is sourced from PubChem (CID 154597068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).