2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine

C43H29N5 — CID 164817029

IUPAC2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1
InChIInChI=1S/C43H29N5/c1-4-14-30(15-5-1)35-27-41(37-22-10-11-25-44-37)46-42(28-35)38-24-13-23-36(45-38)33-20-12-21-34(26-33)40-29-39(31-16-6-2-7-17-31)47-43(48-40)32-18-8-3-9-19-32/h1-29H
InChIKeyFBTPCVZWFMNUCP-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.33
Rot. Bonds7

About 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine

2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine (PubChem CID 164817029) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
PubChem CID164817029
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1
InChIInChI=1S/C43H29N5/c1-4-14-30(15-5-1)35-27-41(37-22-10-11-25-44-37)46-42(28-35)38-24-13-23-36(45-38)33-20-12-21-34(26-33)40-29-39(31-16-6-2-7-17-31)47-43(48-40)32-18-8-3-9-19-32/h1-29H
InChIKeyFBTPCVZWFMNUCP-UHFFFAOYSA-N
XLogP10.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
CID 163565213
2,4-diphenyl-6-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817201
2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165107682
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 164816961
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine (CID 164817029) is 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine?
The InChIKey is FBTPCVZWFMNUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-4-14-30(15-5-1)35-27-41(37-22-10-11-25-44-37)46-42(28-35)38-24-13-23-36(45-38)33-20-12-21-34(26-33)40-29-39(31-16-6-2-7-17-31)47-43(48-40)32-18-8-3-9-19-32/h1-29H.
What are the key properties of 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine?
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine has a molecular weight of 615.74 g/mol, XLogP of 10.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine is sourced from PubChem (CID 164817029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).