4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine

C61H40N2 — CID 168778142

IUPAC4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-4-16-41(17-5-1)43-28-31-44(32-29-43)60-62-58(47-33-30-42-18-10-11-19-45(42)38-47)40-59(63-60)54-36-35-50(51-24-12-13-25-52(51)54)46-34-37-57-55(39-46)53-26-14-15-27-56(53)61(57,48-20-6-2-7-21-48)49-22-8-3-9-23-49/h1-40H
InChIKeyPRKSUTOOXHNCAU-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.48
Rot. Bonds7

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

4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine (PubChem CID 168778142) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
PubChem CID168778142
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-4-16-41(17-5-1)43-28-31-44(32-29-43)60-62-58(47-33-30-42-18-10-11-19-45(42)38-47)40-59(63-60)54-36-35-50(51-24-12-13-25-52(51)54)46-34-37-57-55(39-46)53-26-14-15-27-56(53)61(57,48-20-6-2-7-21-48)49-22-8-3-9-23-49/h1-40H
InChIKeyPRKSUTOOXHNCAU-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-(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-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176834778
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778935
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776891
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779038
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168777926
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine (CID 168778142) is 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)cc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is PRKSUTOOXHNCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-4-16-41(17-5-1)43-28-31-44(32-29-43)60-62-58(47-33-30-42-18-10-11-19-45(42)38-47)40-59(63-60)54-36-35-50(51-24-12-13-25-52(51)54)46-34-37-57-55(39-46)53-26-14-15-27-56(53)61(57,48-20-6-2-7-21-48)49-22-8-3-9-23-49/h1-40H.
What are the key properties of 4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine?
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)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-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 168778142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).