2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine

C85H101N — CID 140720976

IUPAC2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)c4)cc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1
InChIInChI=1S/C85H101N/c1-78(2,3)54-82(13,14)73-35-27-58(28-36-73)64-45-65(59-29-37-74(38-30-59)83(15,16)55-79(4,5)6)48-69(47-64)71-51-68(62-24-23-25-63(44-62)77-26-21-22-43-86-77)52-72(53-71)70-49-66(60-31-39-75(40-32-60)84(17,18)56-80(7,8)9)46-67(50-70)61-33-41-76(42-34-61)85(19,20)57-81(10,11)12/h21-53H,54-57H2,1-20H3
InChIKeyHJOROFVHAYPWFY-UHFFFAOYSA-N
MW1136.75 g/mol
LogP25.27
Rot. Bonds16

About 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine

2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 140720976) has the molecular formula C85H101N and a molecular weight of 1136.75 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID140720976
Molecular FormulaC85H101N
Molecular Weight1136.75 g/mol
Exact Mass1135.79
IUPAC Name2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)c4)cc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1
InChIInChI=1S/C85H101N/c1-78(2,3)54-82(13,14)73-35-27-58(28-36-73)64-45-65(59-29-37-74(38-30-59)83(15,16)55-79(4,5)6)48-69(47-64)71-51-68(62-24-23-25-63(44-62)77-26-21-22-43-86-77)52-72(53-71)70-49-66(60-31-39-75(40-32-60)84(17,18)56-80(7,8)9)46-67(50-70)61-33-41-76(42-34-61)85(19,20)57-81(10,11)12/h21-53H,54-57H2,1-20H3
InChIKeyHJOROFVHAYPWFY-UHFFFAOYSA-N
XLogP25.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.75
LogP ≤ 525.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]benzene
CID 140720974
2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140720975
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
CID 171056391
22-(3-pyridin-2-ylphenyl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920150
(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal
CID 138552477
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
CID 59800933

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 140720976) is 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine is CC(C)(C)CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)CC(C)(C)C)cc3)cc(-c3cc(-c4cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)cc(-c5ccc(C(C)(C)CC(C)(C)C)cc5)c4)cc(-c4cccc(-c5ccccn5)c4)c3)c2)cc1.
What is the InChIKey of 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is HJOROFVHAYPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H101N/c1-78(2,3)54-82(13,14)73-35-27-58(28-36-73)64-45-65(59-29-37-74(38-30-59)83(15,16)55-79(4,5)6)48-69(47-64)71-51-68(62-24-23-25-63(44-62)77-26-21-22-43-86-77)52-72(53-71)70-49-66(60-31-39-75(40-32-60)84(17,18)56-80(7,8)9)46-67(50-70)61-33-41-76(42-34-61)85(19,20)57-81(10,11)12/h21-53H,54-57H2,1-20H3.
What are the key properties of 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine?
2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 1136.75 g/mol, XLogP of 25.27, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 140720976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).