4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine

C45H38BrN — CID 164818783

IUPAC4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine
SMILESBrc1ccc(C23CC4CC(C2)CC(c2ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)cc2)(C4)C3)cc1
InChIInChI=1S/C45H38BrN/c46-41-20-18-40(19-21-41)45-28-31-22-32(29-45)27-44(26-31,30-45)39-16-14-33(15-17-39)36-12-7-13-37(23-36)38-24-42(34-8-3-1-4-9-34)47-43(25-38)35-10-5-2-6-11-35/h1-21,23-25,31-32H,22,26-30H2
InChIKeyHILWDTMWVKTHAU-UHFFFAOYSA-N
MW672.71 g/mol
LogP12.30
Rot. Bonds6

About 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine

4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine (PubChem CID 164818783) has the molecular formula C45H38BrN and a molecular weight of 672.71 g/mol. Its IUPAC name is 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine
PubChem CID164818783
Molecular FormulaC45H38BrN
Molecular Weight672.71 g/mol
Exact Mass671.22
IUPAC Name4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine
SMILESBrc1ccc(C23CC4CC(C2)CC(c2ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)cc2)(C4)C3)cc1
InChIInChI=1S/C45H38BrN/c46-41-20-18-40(19-21-41)45-28-31-22-32(29-45)27-44(26-31,30-45)39-16-14-33(15-17-39)36-12-7-13-37(23-36)38-24-42(34-8-3-1-4-9-34)47-43(25-38)35-10-5-2-6-11-35/h1-21,23-25,31-32H,22,26-30H2
InChIKeyHILWDTMWVKTHAU-UHFFFAOYSA-N
XLogP12.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.71
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-[4-[3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-adamantyl]phenyl]benzonitrile
CID 164818569
7-[4-[2-[4-(1-adamantyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]-1,3-benzoxazole
CID 176871975
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
4-[3-[4-[2,6-bis[4-(1-adamantyl)phenyl]-4-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 176871966
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608
2-(1-adamantyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-benzoxazole
CID 176871958
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
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-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine (CID 164818783) is 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine is Brc1ccc(C23CC4CC(C2)CC(c2ccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)cc2)(C4)C3)cc1.
What is the InChIKey of 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine?
The InChIKey is HILWDTMWVKTHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38BrN/c46-41-20-18-40(19-21-41)45-28-31-22-32(29-45)27-44(26-31,30-45)39-16-14-33(15-17-39)36-12-7-13-37(23-36)38-24-42(34-8-3-1-4-9-34)47-43(25-38)35-10-5-2-6-11-35/h1-21,23-25,31-32H,22,26-30H2.
What are the key properties of 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine?
4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine has a molecular weight of 672.71 g/mol, XLogP of 12.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-(4-bromophenyl)-1-adamantyl]phenyl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 164818783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).