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

C72H58Br3N3 — CID 140838831

IUPAC2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)c3)c(Br)c2)ncc1-c1ccccc1
InChIInChI=1S/C72H58Br3N3/c1-45-35-68(78-44-64(45)46-17-9-8-10-18-46)47-25-28-61(65(73)39-47)58-22-14-11-19-55(58)50-36-51(56-20-12-15-23-59(56)62-29-26-48(40-66(62)74)69-42-53(31-33-76-69)71(2,3)4)38-52(37-50)57-21-13-16-24-60(57)63-30-27-49(41-67(63)75)70-43-54(32-34-77-70)72(5,6)7/h8-44H,1-7H3
InChIKeyRAVFKZAOAHBSBG-UHFFFAOYSA-N
MW1204.99 g/mol
LogP21.73
Rot. Bonds10

About 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

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 (PubChem CID 140838831) has the molecular formula C72H58Br3N3 and a molecular weight of 1204.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
PubChem CID140838831
Molecular FormulaC72H58Br3N3
Molecular Weight1204.99 g/mol
Exact Mass1201.22
IUPAC Name2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)c3)c(Br)c2)ncc1-c1ccccc1
InChIInChI=1S/C72H58Br3N3/c1-45-35-68(78-44-64(45)46-17-9-8-10-18-46)47-25-28-61(65(73)39-47)58-22-14-11-19-55(58)50-36-51(56-20-12-15-23-59(56)62-29-26-48(40-66(62)74)69-42-53(31-33-76-69)71(2,3)4)38-52(37-50)57-21-13-16-24-60(57)63-30-27-49(41-67(63)75)70-43-54(32-34-77-70)72(5,6)7/h8-44H,1-7H3
InChIKeyRAVFKZAOAHBSBG-UHFFFAOYSA-N
XLogP21.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.99
LogP ≤ 521.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
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
2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine
CID 147125965
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
CID 153295059
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
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-bromophenyl)-4-methyl-2-phenylpyridine
CID 122487761
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-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021
4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine
CID 169036249
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine
CID 153434741

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)c3)c(Br)c2)ncc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is RAVFKZAOAHBSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58Br3N3/c1-45-35-68(78-44-64(45)46-17-9-8-10-18-46)47-25-28-61(65(73)39-47)58-22-14-11-19-55(58)50-36-51(56-20-12-15-23-59(56)62-29-26-48(40-66(62)74)69-42-53(31-33-76-69)71(2,3)4)38-52(37-50)57-21-13-16-24-60(57)63-30-27-49(41-67(63)75)70-43-54(32-34-77-70)72(5,6)7/h8-44H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 1204.99 g/mol, XLogP of 21.73, 10 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-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine is sourced from PubChem (CID 140838831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).