4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine

C57H38N2 — CID 146367936

IUPAC4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5c(cc4-c4cccc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H38N2/c1-5-20-40(21-6-1)54-38-55(59-56(58-54)41-22-7-2-8-23-41)43-26-17-25-42(35-43)49-36-51-48-32-15-16-34-52(48)57(44-27-9-3-10-28-44,45-29-11-4-12-30-45)53(51)37-50(49)47-33-18-24-39-19-13-14-31-46(39)47/h1-38H
InChIKeyGFFKCPDQOGXEQV-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.33
Rot. Bonds7

About 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 146367936) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID146367936
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5c(cc4-c4cccc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H38N2/c1-5-20-40(21-6-1)54-38-55(59-56(58-54)41-22-7-2-8-23-41)43-26-17-25-42(35-43)49-36-51-48-32-15-16-34-52(48)57(44-27-9-3-10-28-44,45-29-11-4-12-30-45)53(51)37-50(49)47-33-18-24-39-19-13-14-31-46(39)47/h1-38H
InChIKeyGFFKCPDQOGXEQV-UHFFFAOYSA-N
XLogP14.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146367937
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157208810
4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
CID 160668603
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
2-[3-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162099195
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-[3-[3-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-1-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158152311
4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595227
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594841

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine (CID 146367936) is 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc5c(cc4-c4cccc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is GFFKCPDQOGXEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-5-20-40(21-6-1)54-38-55(59-56(58-54)41-22-7-2-8-23-41)43-26-17-25-42(35-43)49-36-51-48-32-15-16-34-52(48)57(44-27-9-3-10-28-44,45-29-11-4-12-30-45)53(51)37-50(49)47-33-18-24-39-19-13-14-31-46(39)47/h1-38H.
What are the key properties of 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 750.95 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 146367936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).