4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine

C61H40N2 — CID 176632731

IUPAC4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc4c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-18-41(19-6-1)49-36-37-53(52-27-14-13-26-51(49)52)58-40-57(62-60(63-58)42-20-7-2-8-21-42)46-35-33-43-38-45(34-32-44(43)39-46)50-29-17-31-56-59(50)54-28-15-16-30-55(54)61(56,47-22-9-3-10-23-47)48-24-11-4-12-25-48/h1-40H
InChIKeyCJFBGKCKRAYYDI-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.48
Rot. Bonds7

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

4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632731) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632731
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc4c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C61H40N2/c1-5-18-41(19-6-1)49-36-37-53(52-27-14-13-26-51(49)52)58-40-57(62-60(63-58)42-20-7-2-8-21-42)46-35-33-43-38-45(34-32-44(43)39-46)50-29-17-31-56-59(50)54-28-15-16-30-55(54)61(56,47-22-9-3-10-23-47)48-24-11-4-12-25-48/h1-40H
InChIKeyCJFBGKCKRAYYDI-UHFFFAOYSA-N
XLogP15.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 168777945
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168777720
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168777472
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237278
2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632640
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
4-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777603

Frequently Asked Questions

What is the IUPAC name of 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine (CID 176632731) is 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc4c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is CJFBGKCKRAYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-18-41(19-6-1)49-36-37-53(52-27-14-13-26-51(49)52)58-40-57(62-60(63-58)42-20-7-2-8-21-42)46-35-33-43-38-45(34-32-44(43)39-46)50-29-17-31-56-59(50)54-28-15-16-30-55(54)61(56,47-22-9-3-10-23-47)48-24-11-4-12-25-48/h1-40H.
What are the key properties of 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine?
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 801.01 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).