4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine

C48H30N2 — CID 130295196

IUPAC4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N2/c1-3-11-31(12-4-1)45-30-46(50-48(49-45)32-13-5-2-6-14-32)38-16-9-15-33(27-38)34-21-22-36-26-37(24-23-35(36)25-34)40-28-39-17-10-20-43-41-18-7-8-19-42(41)44(29-40)47(39)43/h1-30H
InChIKeyOAOVAATUGWXSTO-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.77
Rot. Bonds5

About 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine

4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 130295196) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID130295196
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N2/c1-3-11-31(12-4-1)45-30-46(50-48(49-45)32-13-5-2-6-14-32)38-16-9-15-33(27-38)34-21-22-36-26-37(24-23-35(36)25-34)40-28-39-17-10-20-43-41-18-7-8-19-42(41)44(29-40)47(39)43/h1-30H
InChIKeyOAOVAATUGWXSTO-UHFFFAOYSA-N
XLogP12.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 168756342
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine (CID 130295196) is 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is OAOVAATUGWXSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-11-31(12-4-1)45-30-46(50-48(49-45)32-13-5-2-6-14-32)38-16-9-15-33(27-38)34-21-22-36-26-37(24-23-35(36)25-34)40-28-39-17-10-20-43-41-18-7-8-19-42(41)44(29-40)47(39)43/h1-30H.
What are the key properties of 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine?
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 634.78 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 130295196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).