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

C58H40N2 — CID 168776832

IUPAC4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc21
InChIInChI=1S/C58H40N2/c1-58(44-21-9-4-10-22-44)53-28-16-15-26-49(53)50-34-33-43(37-54(50)58)39-29-31-41(32-30-39)46-35-36-52(48-25-13-12-24-47(46)48)56-38-55(59-57(60-56)42-19-7-3-8-20-42)51-27-14-11-23-45(51)40-17-5-2-6-18-40/h2-38H,1H3
InChIKeyKIQREMNLNUTIEY-UHFFFAOYSA-N
MW764.97 g/mol
LogP14.97
Rot. Bonds7

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

4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168776832) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168776832
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc21
InChIInChI=1S/C58H40N2/c1-58(44-21-9-4-10-22-44)53-28-16-15-26-49(53)50-34-33-43(37-54(50)58)39-29-31-41(32-30-39)46-35-36-52(48-25-13-12-24-47(46)48)56-38-55(59-57(60-56)42-19-7-3-8-20-42)51-27-14-11-23-45(51)40-17-5-2-6-18-40/h2-38H,1H3
InChIKeyKIQREMNLNUTIEY-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-(9-methyl-9-phenylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 168778225
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776891
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-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778428
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778711
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-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603602
4-[4-(4-dibenzothiophen-2-ylnaphthalen-1-yl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603377
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168776832) is 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc21.
What is the InChIKey of 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is KIQREMNLNUTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-58(44-21-9-4-10-22-44)53-28-16-15-26-49(53)50-34-33-43(37-54(50)58)39-29-31-41(32-30-39)46-35-36-52(48-25-13-12-24-47(46)48)56-38-55(59-57(60-56)42-19-7-3-8-20-42)51-27-14-11-23-45(51)40-17-5-2-6-18-40/h2-38H,1H3.
What are the key properties of 4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
4-[4-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)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-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168776832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).