4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

C44H28N2 — CID 130295244

IUPAC4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C44H28N2/c1-3-10-29(11-4-1)30-18-22-32(23-19-30)41-28-42(46-44(45-41)34-12-5-2-6-13-34)33-24-20-31(21-25-33)36-26-35-14-9-17-39-37-15-7-8-16-38(37)40(27-36)43(35)39/h1-28H
InChIKeyBRTIMPGKSPSNRB-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.61
Rot. Bonds5

About 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 130295244) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID130295244
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C44H28N2/c1-3-10-29(11-4-1)30-18-22-32(23-19-30)41-28-42(46-44(45-41)34-12-5-2-6-13-34)33-24-20-31(21-25-33)36-26-35-14-9-17-39-37-15-7-8-16-38(37)40(27-36)43(35)39/h1-28H
InChIKeyBRTIMPGKSPSNRB-UHFFFAOYSA-N
XLogP11.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
2,9-diphenylfluoranthene
CID 174565991
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-fluoranthen-2-yl-6-phenylpyrazine
CID 130295249
2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160870715

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 130295244) is 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is BRTIMPGKSPSNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-10-29(11-4-1)30-18-22-32(23-19-30)41-28-42(46-44(45-41)34-12-5-2-6-13-34)33-24-20-31(21-25-33)36-26-35-14-9-17-39-37-15-7-8-16-38(37)40(27-36)43(35)39/h1-28H.
What are the key properties of 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 584.72 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 130295244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).