2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine

C43H29N5 — CID 134222639

IUPAC2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3)n2)cc1
InChIInChI=1S/C43H29N5/c1-3-11-33(12-4-1)39-29-40(34-13-5-2-6-14-34)48-43(47-39)35-23-21-31(22-24-35)30-17-19-32(20-18-30)36-27-41(37-15-7-9-25-44-37)46-42(28-36)38-16-8-10-26-45-38/h1-29H
InChIKeyVMRKURQMCYASFX-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.33
Rot. Bonds7

About 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine

2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 134222639) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
PubChem CID134222639
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3)n2)cc1
InChIInChI=1S/C43H29N5/c1-3-11-33(12-4-1)39-29-40(34-13-5-2-6-14-34)48-43(47-39)35-23-21-31(22-24-35)30-17-19-32(20-18-30)36-27-41(37-15-7-9-25-44-37)46-42(28-36)38-16-8-10-26-45-38/h1-29H
InChIKeyVMRKURQMCYASFX-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

CID 77258
CID 77258
CID 54576073
CID 54576073
CID 25020250
CID 25020250
CID 817541
CID 817541
CID 3296768
CID 3296768
CID 24743826
CID 24743826
CID 124222736
CID 124222736
CID 138501464
CID 138501464
CID 138501621
CID 138501621
CID 3734343
CID 3734343
CID 820817
CID 820817
CID 118779
CID 118779

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine (CID 134222639) is 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is VMRKURQMCYASFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-3-11-33(12-4-1)39-29-40(34-13-5-2-6-14-34)48-43(47-39)35-23-21-31(22-24-35)30-17-19-32(20-18-30)36-27-41(37-15-7-9-25-44-37)46-42(28-36)38-16-8-10-26-45-38/h1-29H.
What are the key properties of 2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine?
2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine 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-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 134222639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).