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

C134H140Br4N6 — CID 153449021

IUPAC2-[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
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5ccc(-c6ccccc6C6CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7Br)CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7Br)C6)cn5)nc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)C3)c(Br)c2)c1
InChIInChI=1S/C134H140Br4N6/c1-127(2,3)93-39-47-105(113(71-93)109-43-33-81(67-117(109)135)123-75-97(53-57-139-123)131(13,14)15)89-61-87(62-90(65-89)106-48-40-94(128(4,5)6)72-114(106)110-44-34-82(68-118(110)136)124-76-98(54-58-140-124)132(16,17)18)103-31-27-25-29-101(103)85-37-51-121(143-79-85)122-52-38-86(80-144-122)102-30-26-28-32-104(102)88-63-91(107-49-41-95(129(7,8)9)73-115(107)111-45-35-83(69-119(111)137)125-77-99(55-59-141-125)133(19,20)21)66-92(64-88)108-50-42-96(130(10,11)12)74-116(108)112-46-36-84(70-120(112)138)126-78-100(56-60-142-126)134(22,23)24/h25-60,67-80,87-92H,61-66H2,1-24H3
InChIKeyKPFBYUUWHHZNNB-UHFFFAOYSA-N
MW2154.25 g/mol
LogP39.49
Rot. Bonds17

About 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

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 (PubChem CID 153449021) has the molecular formula C134H140Br4N6 and a molecular weight of 2154.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID153449021
Molecular FormulaC134H140Br4N6
Molecular Weight2154.25 g/mol
Exact Mass2148.79
IUPAC Name2-[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
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5ccc(-c6ccccc6C6CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7Br)CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7Br)C6)cn5)nc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)C3)c(Br)c2)c1
InChIInChI=1S/C134H140Br4N6/c1-127(2,3)93-39-47-105(113(71-93)109-43-33-81(67-117(109)135)123-75-97(53-57-139-123)131(13,14)15)89-61-87(62-90(65-89)106-48-40-94(128(4,5)6)72-114(106)110-44-34-82(68-118(110)136)124-76-98(54-58-140-124)132(16,17)18)103-31-27-25-29-101(103)85-37-51-121(143-79-85)122-52-38-86(80-144-122)102-30-26-28-32-104(102)88-63-91(107-49-41-95(129(7,8)9)73-115(107)111-45-35-83(69-119(111)137)125-77-99(55-59-141-125)133(19,20)21)66-92(64-88)108-50-42-96(130(10,11)12)74-116(108)112-46-36-84(70-120(112)138)126-78-100(56-60-142-126)134(22,23)24/h25-60,67-80,87-92H,61-66H2,1-24H3
InChIKeyKPFBYUUWHHZNNB-UHFFFAOYSA-N
XLogP39.49
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.25
LogP ≤ 539.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
CID 138744264
2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
CID 153439025
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-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 153438954
2-[4-[2-[3,5-bis[4-tert-butyl-2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]cyclohexyl]phenyl]-3-bromobenzene-6-id-1-yl]-4-tert-butylpyridine;iridium(3+)
CID 153438993
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
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine
CID 146184057
2-[4-[2-[3,5-bis[4-tert-butyl-2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]cyclohexyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 153439015
5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
CID 153448944
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]-4-tert-butylphenyl]cyclohexyl]phenyl]-3-bromobenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;iridium(3+)
CID 153439090
2-(3-bromobenzene-6-id-1-yl)-5-[2-[3-[2-[6-(3-bromobenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]-4-tert-butylphenyl]-5-[2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-4-phenylpyridine;iridium(3+)
CID 153439088
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]cyclohexyl]phenyl]-3-bromobenzene-6-id-1-yl]quinoline;iridium(3+)
CID 153182201

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccnc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5ccc(-c6ccccc6C6CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7Br)CC(c7ccc(C(C)(C)C)cc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7Br)C6)cn5)nc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4Br)C3)c(Br)c2)c1.
What is the InChIKey of 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?
The InChIKey is KPFBYUUWHHZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H140Br4N6/c1-127(2,3)93-39-47-105(113(71-93)109-43-33-81(67-117(109)135)123-75-97(53-57-139-123)131(13,14)15)89-61-87(62-90(65-89)106-48-40-94(128(4,5)6)72-114(106)110-44-34-82(68-118(110)136)124-76-98(54-58-140-124)132(16,17)18)103-31-27-25-29-101(103)85-37-51-121(143-79-85)122-52-38-86(80-144-122)102-30-26-28-32-104(102)88-63-91(107-49-41-95(129(7,8)9)73-115(107)111-45-35-83(69-119(111)137)125-77-99(55-59-141-125)133(19,20)21)66-92(64-88)108-50-42-96(130(10,11)12)74-116(108)112-46-36-84(70-120(112)138)126-78-100(56-60-142-126)134(22,23)24/h25-60,67-80,87-92H,61-66H2,1-24H3.
What are the key properties of 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?
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 has a molecular weight of 2154.25 g/mol, XLogP of 39.49, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153449021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).