2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine

C42H26N2 — CID 130295192

IUPAC2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)n2)cc1
InChIInChI=1S/C42H26N2/c1-3-10-27(11-4-1)39-26-40(28-12-5-2-6-13-28)44-42(43-39)33-21-20-29-22-31(19-18-30(29)23-33)34-24-32-14-9-17-37-35-15-7-8-16-36(35)38(25-34)41(32)37/h1-26H
InChIKeyWAJMTNOLGSEHNO-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.10
Rot. Bonds4

About 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine

2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine (PubChem CID 130295192) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
PubChem CID130295192
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)n2)cc1
InChIInChI=1S/C42H26N2/c1-3-10-27(11-4-1)39-26-40(28-12-5-2-6-13-28)44-42(43-39)33-21-20-29-22-31(19-18-30(29)23-33)34-24-32-14-9-17-37-35-15-7-8-16-36(35)38(25-34)41(32)37/h1-26H
InChIKeyWAJMTNOLGSEHNO-UHFFFAOYSA-N
XLogP11.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
2,9-diphenylfluoranthene
CID 174565991
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 168756342
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
4-(6-fluoranthen-2-ylnaphthalen-2-yl)pyridine
CID 130295175

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine (CID 130295192) is 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)ccc4c3)n2)cc1.
What is the InChIKey of 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine?
The InChIKey is WAJMTNOLGSEHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-3-10-27(11-4-1)39-26-40(28-12-5-2-6-13-28)44-42(43-39)33-21-20-29-22-31(19-18-30(29)23-33)34-24-32-14-9-17-37-35-15-7-8-16-36(35)38(25-34)41(32)37/h1-26H.
What are the key properties of 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine?
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine has a molecular weight of 558.68 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 130295192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).