4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

C65H42N2 — CID 168778935

IUPAC4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)C(c5ccc7ccccc7c5)(c5ccc7ccccc7c5)c5ccccc5-6)c5ccccc45)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C65H42N2/c1-3-15-43(16-4-1)46-27-29-47(30-28-46)62-42-63(67-64(66-62)48-19-5-2-6-20-48)59-38-37-54(55-23-11-12-24-56(55)59)51-33-36-58-57-25-13-14-26-60(57)65(61(58)41-51,52-34-31-44-17-7-9-21-49(44)39-52)53-35-32-45-18-8-10-22-50(45)40-53/h1-42H
InChIKeyZSEFOYQATTXLDC-UHFFFAOYSA-N
MW851.07 g/mol
LogP16.63
Rot. Bonds7

About 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 168778935) has the molecular formula C65H42N2 and a molecular weight of 851.07 g/mol. Its IUPAC name is 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID168778935
Molecular FormulaC65H42N2
Molecular Weight851.07 g/mol
Exact Mass850.33
IUPAC Name4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)C(c5ccc7ccccc7c5)(c5ccc7ccccc7c5)c5ccccc5-6)c5ccccc45)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C65H42N2/c1-3-15-43(16-4-1)46-27-29-47(30-28-46)62-42-63(67-64(66-62)48-19-5-2-6-20-48)59-38-37-54(55-23-11-12-24-56(55)59)51-33-36-58-57-25-13-14-26-60(57)65(61(58)41-51,52-34-31-44-17-7-9-21-49(44)39-52)53-35-32-45-18-8-10-22-50(45)40-53/h1-42H
InChIKeyZSEFOYQATTXLDC-UHFFFAOYSA-N
XLogP16.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.07
LogP ≤ 516.63
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-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
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)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
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-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 168778935) is 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)C(c5ccc7ccccc7c5)(c5ccc7ccccc7c5)c5ccccc5-6)c5ccccc45)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ZSEFOYQATTXLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2/c1-3-15-43(16-4-1)46-27-29-47(30-28-46)62-42-63(67-64(66-62)48-19-5-2-6-20-48)59-38-37-54(55-23-11-12-24-56(55)59)51-33-36-58-57-25-13-14-26-60(57)65(61(58)41-51,52-34-31-44-17-7-9-21-49(44)39-52)53-35-32-45-18-8-10-22-50(45)40-53/h1-42H.
What are the key properties of 4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[4-(9,9-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 851.07 g/mol, XLogP of 16.63, 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-dinaphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 168778935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).