2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine

C72H52BrN3 — CID 140838789

IUPAC2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)c3)c(Br)c2)ncc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C72H52BrN3/c1-47-38-53(70-28-13-15-36-74-70)30-33-59(47)64-25-10-7-22-61(64)56-42-57(62-23-8-11-26-65(62)60-34-31-54(39-48(60)2)71-29-14-16-37-75-71)44-58(43-56)63-24-9-12-27-66(63)67-35-32-55(45-69(67)73)72-40-49(3)68(46-76-72)52-21-17-20-51(41-52)50-18-5-4-6-19-50/h4-46H,1-3H3
InChIKeyBKDIWYKEQCABIN-UHFFFAOYSA-N
MW1039.13 g/mol
LogP19.90
Rot. Bonds11

About 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine

2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine (PubChem CID 140838789) has the molecular formula C72H52BrN3 and a molecular weight of 1039.13 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine
PubChem CID140838789
Molecular FormulaC72H52BrN3
Molecular Weight1039.13 g/mol
Exact Mass1037.33
IUPAC Name2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)c3)c(Br)c2)ncc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C72H52BrN3/c1-47-38-53(70-28-13-15-36-74-70)30-33-59(47)64-25-10-7-22-61(64)56-42-57(62-23-8-11-26-65(62)60-34-31-54(39-48(60)2)71-29-14-16-37-75-71)44-58(43-56)63-24-9-12-27-66(63)67-35-32-55(45-69(67)73)72-40-49(3)68(46-76-72)52-21-17-20-51(41-52)50-18-5-4-6-19-50/h4-46H,1-3H3
InChIKeyBKDIWYKEQCABIN-UHFFFAOYSA-N
XLogP19.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.13
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
CID 140838831
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine
CID 153434741
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
CID 153434803
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine
CID 155609116
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 159274930
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 176725781
2-phenyl-5-[2-[3-[2-[6-[3-(3-phenylphenyl)phenyl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153458053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine (CID 140838789) is 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4C)c3)c(Br)c2)ncc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine?
The InChIKey is BKDIWYKEQCABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52BrN3/c1-47-38-53(70-28-13-15-36-74-70)30-33-59(47)64-25-10-7-22-61(64)56-42-57(62-23-8-11-26-65(62)60-34-31-54(39-48(60)2)71-29-14-16-37-75-71)44-58(43-56)63-24-9-12-27-66(63)67-35-32-55(45-69(67)73)72-40-49(3)68(46-76-72)52-21-17-20-51(41-52)50-18-5-4-6-19-50/h4-46H,1-3H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine?
2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine has a molecular weight of 1039.13 g/mol, XLogP of 19.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine is sourced from PubChem (CID 140838789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).