4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

C50H32N2 — CID 130295102

IUPAC4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)cc5)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C50H32N2/c1-3-11-33(12-4-1)39-15-9-16-40(29-39)48-32-47(51-50(52-48)38-13-5-2-6-14-38)37-27-25-35(26-28-37)34-21-23-36(24-22-34)42-30-41-17-10-20-45-43-18-7-8-19-44(43)46(31-42)49(41)45/h1-32H
InChIKeyNIXFNNWOLIQPKO-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.28
Rot. Bonds6

About 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 130295102) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID130295102
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)cc5)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C50H32N2/c1-3-11-33(12-4-1)39-15-9-16-40(29-39)48-32-47(51-50(52-48)38-13-5-2-6-14-38)37-27-25-35(26-28-37)34-21-23-36(24-22-34)42-30-41-17-10-20-45-43-18-7-8-19-44(43)46(31-42)49(41)45/h1-32H
InChIKeyNIXFNNWOLIQPKO-UHFFFAOYSA-N
XLogP13.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
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-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 168756342
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163630452
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 130295102) is 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)cc5)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is NIXFNNWOLIQPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-11-33(12-4-1)39-15-9-16-40(29-39)48-32-47(51-50(52-48)38-13-5-2-6-14-38)37-27-25-35(26-28-37)34-21-23-36(24-22-34)42-30-41-17-10-20-45-43-18-7-8-19-44(43)46(31-42)49(41)45/h1-32H.
What are the key properties of 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 660.82 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 130295102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).