2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine

C57H39N3 — CID 167364369

IUPAC2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)ccc43)c2)ccn1
InChIInChI=1S/C57H39N3/c1-38-34-42(32-33-58-38)48-26-11-10-25-47(48)41-20-14-23-45(35-41)57(44-21-6-3-7-22-44)52-29-13-12-27-49(52)51-36-43(30-31-53(51)57)56-59-54(40-17-4-2-5-18-40)37-55(60-56)50-28-15-19-39-16-8-9-24-46(39)50/h2-37H,1H3
InChIKeyZEBGSEOBCFUIDC-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.03
Rot. Bonds7

About 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine

2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 167364369) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID167364369
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)ccc43)c2)ccn1
InChIInChI=1S/C57H39N3/c1-38-34-42(32-33-58-38)48-26-11-10-25-47(48)41-20-14-23-45(35-41)57(44-21-6-3-7-22-44)52-29-13-12-27-49(52)51-36-43(30-31-53(51)57)56-59-54(40-17-4-2-5-18-40)37-55(60-56)50-28-15-19-39-16-8-9-24-46(39)50/h2-37H,1H3
InChIKeyZEBGSEOBCFUIDC-UHFFFAOYSA-N
XLogP14.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine 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

4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine
CID 167364468
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594841
4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595227
4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261219
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032
4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146367937
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176834778
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-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine (CID 167364369) is 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine is Cc1cc(-c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)ccc43)c2)ccn1.
What is the InChIKey of 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is ZEBGSEOBCFUIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-38-34-42(32-33-58-38)48-26-11-10-25-47(48)41-20-14-23-45(35-41)57(44-21-6-3-7-22-44)52-29-13-12-27-49(52)51-36-43(30-31-53(51)57)56-59-54(40-17-4-2-5-18-40)37-55(60-56)50-28-15-19-39-16-8-9-24-46(39)50/h2-37H,1H3.
What are the key properties of 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine has a molecular weight of 765.96 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 167364369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).