2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine

C50H32N2 — CID 130295035

IUPAC2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N2/c1-3-11-33(12-4-1)35-21-25-37(26-22-35)47-32-48(38-27-23-36(24-28-38)34-13-5-2-6-14-34)52-50(51-47)41-17-9-15-39(29-41)42-30-40-16-10-20-45-43-18-7-8-19-44(43)46(31-42)49(40)45/h1-32H
InChIKeyREHKTTSYRZXDLI-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.28
Rot. Bonds6

About 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine

2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine (PubChem CID 130295035) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
PubChem CID130295035
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N2/c1-3-11-33(12-4-1)35-21-25-37(26-22-35)47-32-48(38-27-23-36(24-28-38)34-13-5-2-6-14-34)52-50(51-47)41-17-9-15-39(29-41)42-30-40-16-10-20-45-43-18-7-8-19-44(43)46(31-42)49(40)45/h1-32H
InChIKeyREHKTTSYRZXDLI-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

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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-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
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-[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
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
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 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine (CID 130295035) is 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)n3)cc2)cc1.
What is the InChIKey of 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine?
The InChIKey is REHKTTSYRZXDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-11-33(12-4-1)35-21-25-37(26-22-35)47-32-48(38-27-23-36(24-28-38)34-13-5-2-6-14-34)52-50(51-47)41-17-9-15-39(29-41)42-30-40-16-10-20-45-43-18-7-8-19-44(43)46(31-42)49(40)45/h1-32H.
What are the key properties of 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine?
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-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 2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 130295035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).