5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

C58H59ClN2 — CID 134227068

IUPAC5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3ccc(-c4ccccc4-c4cc(Cl)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)C(C)(C)C7(C)C)nc5)c4)cn3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C58H59ClN2/c1-53(2)47-25-21-36(32-49(47)55(5,6)57(53,9)10)51-27-23-38(34-60-51)43-17-13-15-19-45(43)40-29-41(31-42(59)30-40)46-20-16-14-18-44(46)39-24-28-52(61-35-39)37-22-26-48-50(33-37)56(7,8)58(11,12)54(48,3)4/h13-35H,1-12H3
InChIKeyLHXRDBZDADCFKF-UHFFFAOYSA-N
MW819.58 g/mol
LogP16.32
Rot. Bonds6

About 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (PubChem CID 134227068) has the molecular formula C58H59ClN2 and a molecular weight of 819.58 g/mol. Its IUPAC name is 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.

Molecular Properties

Compound Name5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
PubChem CID134227068
Molecular FormulaC58H59ClN2
Molecular Weight819.58 g/mol
Exact Mass818.44
IUPAC Name5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3ccc(-c4ccccc4-c4cc(Cl)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)C(C)(C)C7(C)C)nc5)c4)cn3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C58H59ClN2/c1-53(2)47-25-21-36(32-49(47)55(5,6)57(53,9)10)51-27-23-38(34-60-51)43-17-13-15-19-45(43)40-29-41(31-42(59)30-40)46-20-16-14-18-44(46)39-24-28-52(61-35-39)37-22-26-48-50(33-37)56(7,8)58(11,12)54(48,3)4/h13-35H,1-12H3
InChIKeyLHXRDBZDADCFKF-UHFFFAOYSA-N
XLogP16.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.58
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The IUPAC name of 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (CID 134227068) is 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.
What is the SMILES notation for 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The canonical SMILES for 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is CC1(C)c2ccc(-c3ccc(-c4ccccc4-c4cc(Cl)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)C(C)(C)C7(C)C)nc5)c4)cn3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The InChIKey is LHXRDBZDADCFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H59ClN2/c1-53(2)47-25-21-36(32-49(47)55(5,6)57(53,9)10)51-27-23-38(34-60-51)43-17-13-15-19-45(43)40-29-41(31-42(59)30-40)46-20-16-14-18-44(46)39-24-28-52(61-35-39)37-22-26-48-50(33-37)56(7,8)58(11,12)54(48,3)4/h13-35H,1-12H3.
What are the key properties of 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine has a molecular weight of 819.58 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-chloro-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is sourced from PubChem (CID 134227068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).