bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)

C82H96F6N10Os+2 — CID 175758971

IUPACbis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)
SMILESCC(C)(C)c1ccnc(-c2c(C(F)(F)F)c(-c3cc(C(C)(C)C)ccn3)n(-c3cc(C(C)(C)C)ccn3)c2-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2c(C(F)(F)F)c(-c3cc(C(C)(C)C)ccn3)n(-c3cc(C(C)(C)C)ccn3)c2-c2cc(C(C)(C)C)ccn2)c1.[Os+2]
InChIInChI=1S/2C41H48F3N5.Os/c2*1-37(2,3)25-13-17-45-29(21-25)33-34(41(42,43)44)36(31-23-27(15-19-47-31)39(7,8)9)49(32-24-28(16-20-48-32)40(10,11)12)35(33)30-22-26(14-18-46-30)38(4,5)6;/h2*13-24H,1-12H3;/q;;+2
InChIKeyPZMZBHSRIASGOH-UHFFFAOYSA-N
MW1525.96 g/mol
LogP22.53
Rot. Bonds8

About bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)

bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+) (PubChem CID 175758971) has the molecular formula C82H96F6N10Os+2 and a molecular weight of 1525.96 g/mol. Its IUPAC name is bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+).

Molecular Properties

Compound Namebis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)
PubChem CID175758971
Molecular FormulaC82H96F6N10Os+2
Molecular Weight1525.96 g/mol
Exact Mass1526.73
IUPAC Namebis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)
SMILESCC(C)(C)c1ccnc(-c2c(C(F)(F)F)c(-c3cc(C(C)(C)C)ccn3)n(-c3cc(C(C)(C)C)ccn3)c2-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2c(C(F)(F)F)c(-c3cc(C(C)(C)C)ccn3)n(-c3cc(C(C)(C)C)ccn3)c2-c2cc(C(C)(C)C)ccn2)c1.[Os+2]
InChIInChI=1S/2C41H48F3N5.Os/c2*1-37(2,3)25-13-17-45-29(21-25)33-34(41(42,43)44)36(31-23-27(15-19-47-31)39(7,8)9)49(32-24-28(16-20-48-32)40(10,11)12)35(33)30-22-26(14-18-46-30)38(4,5)6;/h2*13-24H,1-12H3;/q;;+2
InChIKeyPZMZBHSRIASGOH-UHFFFAOYSA-N
XLogP22.53
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001525.96
LogP ≤ 522.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)?
The IUPAC name of bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+) (CID 175758971) is bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+).
What is the SMILES notation for bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)?
The canonical SMILES for bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+) is CC(C)(C)c1ccnc(-c2c(C(F)(F)F)c(-c3cc(C(C)(C)C)ccn3)n(-c3cc(C(C)(C)C)ccn3)c2-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2c(C(F)(F)F)c(-c3cc(C(C)(C)C)ccn3)n(-c3cc(C(C)(C)C)ccn3)c2-c2cc(C(C)(C)C)ccn2)c1.[Os+2].
What is the InChIKey of bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)?
The InChIKey is PZMZBHSRIASGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H48F3N5.Os/c2*1-37(2,3)25-13-17-45-29(21-25)33-34(41(42,43)44)36(31-23-27(15-19-47-31)39(7,8)9)49(32-24-28(16-20-48-32)40(10,11)12)35(33)30-22-26(14-18-46-30)38(4,5)6;/h2*13-24H,1-12H3;/q;;+2.
What are the key properties of bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+)?
bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+) has a molecular weight of 1525.96 g/mol, XLogP of 22.53, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-[1,2,5-tris(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)pyrrol-3-yl]pyridine);osmium(2+) is sourced from PubChem (CID 175758971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).