4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine

C58H40N2 — CID 168778225

IUPAC4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C58H40N2/c1-58(46-19-9-4-10-20-46)53-24-14-13-23-50(53)51-34-33-45(37-54(51)58)47-35-36-52(49-22-12-11-21-48(47)49)56-38-55(59-57(60-56)44-17-7-3-8-18-44)43-31-29-42(30-32-43)41-27-25-40(26-28-41)39-15-5-2-6-16-39/h2-38H,1H3
InChIKeyBLBGMZGJRSZQKM-UHFFFAOYSA-N
MW764.97 g/mol
LogP14.97
Rot. Bonds7

About 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine

4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine (PubChem CID 168778225) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
PubChem CID168778225
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C58H40N2/c1-58(46-19-9-4-10-20-46)53-24-14-13-23-50(53)51-34-33-45(37-54(51)58)47-35-36-52(49-22-12-11-21-48(47)49)56-38-55(59-57(60-56)44-17-7-3-8-18-44)43-31-29-42(30-32-43)41-27-25-40(26-28-41)39-15-5-2-6-16-39/h2-38H,1H3
InChIKeyBLBGMZGJRSZQKM-UHFFFAOYSA-N
XLogP14.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776832
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
4-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
4-[4-(4-dibenzothiophen-2-ylnaphthalen-1-yl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603377
4-(4-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427
2-[6-(9-methyl-9-phenylfluoren-4-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632640
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 168779171
4-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603479
4-(3-dibenzothiophen-1-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602365

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine (CID 168778225) is 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.
What is the InChIKey of 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine?
The InChIKey is BLBGMZGJRSZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-58(46-19-9-4-10-20-46)53-24-14-13-23-50(53)51-34-33-45(37-54(51)58)47-35-36-52(49-22-12-11-21-48(47)49)56-38-55(59-57(60-56)44-17-7-3-8-18-44)43-31-29-42(30-32-43)41-27-25-40(26-28-41)39-15-5-2-6-16-39/h2-38H,1H3.
What are the key properties of 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine?
4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine has a molecular weight of 764.97 g/mol, XLogP of 14.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 168778225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).