4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)

C33H35F12N5Ti — CID 129316385

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)
SMILESCC(C)(c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1.CNC.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C27H16F12N2.C2H7N.2C2H6N.Ti/c1-23(2,21-7-15(11-40-21)13-3-17(24(28,29)30)9-18(4-13)25(31,32)33)22-8-16(12-41-22)14-5-19(26(34,35)36)10-20(6-14)27(37,38)39;3*1-3-2;/h3-12H,1-2H3;3H,1-2H3;2*1-2H3;/q-2;;2*-1;+4
InChIKeyMZQYQWKGYHMRDK-UHFFFAOYSA-N
MW777.52 g/mol
LogP10.41
Rot. Bonds4

About 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)

4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+) (PubChem CID 129316385) has the molecular formula C33H35F12N5Ti and a molecular weight of 777.52 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+).

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)
PubChem CID129316385
Molecular FormulaC33H35F12N5Ti
Molecular Weight777.52 g/mol
Exact Mass777.22
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)
SMILESCC(C)(c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1.CNC.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C27H16F12N2.C2H7N.2C2H6N.Ti/c1-23(2,21-7-15(11-40-21)13-3-17(24(28,29)30)9-18(4-13)25(31,32)33)22-8-16(12-41-22)14-5-19(26(34,35)36)10-20(6-14)27(37,38)39;3*1-3-2;/h3-12H,1-2H3;3H,1-2H3;2*1-2H3;/q-2;;2*-1;+4
InChIKeyMZQYQWKGYHMRDK-UHFFFAOYSA-N
XLogP10.41
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.52
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+) with MolForge

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Related Compounds

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1,1'-Bis((5-(2,6-bis(trifluoromethyl)phenyl)pyridin-2-yl)methyl)-2,2'-bipyrrolidine
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2-[diphenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 11120074
Ti(NMe2)2(2-(3,5-CF3C6H3)pyrrolyl)2
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bis(acetonitrile);5-[2,6-bis(trifluoromethyl)phenyl]-2-[[(2R)-2-[(2R)-1-[[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;manganese(2+)
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3-[1-(1H-indol-3-yl)-1-pyridin-3-ylethyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+) (CID 129316385) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+).
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+) is CC(C)(c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c[n-]1.CNC.C[N-]C.C[N-]C.[Ti+4].
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)?
The InChIKey is MZQYQWKGYHMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F12N2.C2H7N.2C2H6N.Ti/c1-23(2,21-7-15(11-40-21)13-3-17(24(28,29)30)9-18(4-13)25(31,32)33)22-8-16(12-41-22)14-5-19(26(34,35)36)10-20(6-14)27(37,38)39;3*1-3-2;/h3-12H,1-2H3;3H,1-2H3;2*1-2H3;/q-2;;2*-1;+4.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+)?
4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+) has a molecular weight of 777.52 g/mol, XLogP of 10.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2-[2-[4-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide;bis(dimethylazanide);N-methylmethanamine;titanium(4+) is sourced from PubChem (CID 129316385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).