5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine

C37H25N3 — CID 129292671

IUPAC5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cncnc4)cc(-c4ccc5ccccc5c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H25N3/c1-3-10-27(11-4-1)36-21-34(22-37(40-36)28-12-5-2-6-13-28)32-18-31(19-33(20-32)35-23-38-25-39-24-35)30-16-15-26-9-7-8-14-29(26)17-30/h1-25H
InChIKeyWILBCPAKOVSFAC-UHFFFAOYSA-N
MW511.63 g/mol
LogP9.36
Rot. Bonds5

About 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine

5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine (PubChem CID 129292671) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine.

Molecular Properties

Compound Name5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
PubChem CID129292671
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cncnc4)cc(-c4ccc5ccccc5c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H25N3/c1-3-10-27(11-4-1)36-21-34(22-37(40-36)28-12-5-2-6-13-28)32-18-31(19-33(20-32)35-23-38-25-39-24-35)30-16-15-26-9-7-8-14-29(26)17-30/h1-25H
InChIKeyWILBCPAKOVSFAC-UHFFFAOYSA-N
XLogP9.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
CID 129292668
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-iodo-6-naphthalen-2-yl-4-(3-phenylphenyl)pyridine
CID 146541428
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine?
The IUPAC name of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine (CID 129292671) is 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine.
What is the SMILES notation for 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine?
The canonical SMILES for 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine is c1ccc(-c2cc(-c3cc(-c4cncnc4)cc(-c4ccc5ccccc5c4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine?
The InChIKey is WILBCPAKOVSFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c1-3-10-27(11-4-1)36-21-34(22-37(40-36)28-12-5-2-6-13-28)32-18-31(19-33(20-32)35-23-38-25-39-24-35)30-16-15-26-9-7-8-14-29(26)17-30/h1-25H.
What are the key properties of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine?
5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine has a molecular weight of 511.63 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine is sourced from PubChem (CID 129292671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).