bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride

C66H70Cl2Cr2N4O2 — CID 139112396

IUPACbis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride
SMILESC1CCOC1.C1CCOC1.Cc1ccccc1.Cc1ccccc1.Cn1cccc1C(c1ccccc1)(c1ccccc1)c1ccc[n-]1.Cn1cccc1C(c1ccccc1)(c1ccccc1)c1ccc[n-]1.[Cl-].[Cl-].[Cr+2].[Cr+2]
InChIInChI=1S/2C22H19N2.2C7H8.2C4H8O.2ClH.2Cr/c2*1-24-17-9-15-21(24)22(20-14-8-16-23-20,18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;;;/h2*2-17H,1H3;2*2-6H,1H3;2*1-4H2;2*1H;;/q2*-1;;;;;;;2*+2/p-2
InChIKeyYPAKIDQGHDXADS-UHFFFAOYSA-L
MW1126.21 g/mol
LogP8.32
Rot. Bonds8

About bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride

bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride (PubChem CID 139112396) has the molecular formula C66H70Cl2Cr2N4O2 and a molecular weight of 1126.21 g/mol. Its IUPAC name is bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride.

Molecular Properties

Compound Namebis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride
PubChem CID139112396
Molecular FormulaC66H70Cl2Cr2N4O2
Molecular Weight1126.21 g/mol
Exact Mass1124.37
IUPAC Namebis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride
SMILESC1CCOC1.C1CCOC1.Cc1ccccc1.Cc1ccccc1.Cn1cccc1C(c1ccccc1)(c1ccccc1)c1ccc[n-]1.Cn1cccc1C(c1ccccc1)(c1ccccc1)c1ccc[n-]1.[Cl-].[Cl-].[Cr+2].[Cr+2]
InChIInChI=1S/2C22H19N2.2C7H8.2C4H8O.2ClH.2Cr/c2*1-24-17-9-15-21(24)22(20-14-8-16-23-20,18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;;;/h2*2-17H,1H3;2*2-6H,1H3;2*1-4H2;2*1H;;/q2*-1;;;;;;;2*+2/p-2
InChIKeyYPAKIDQGHDXADS-UHFFFAOYSA-L
XLogP8.32
TPSA56.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.21
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-[4-[4-(5-methyl-1-phenylpyrrol-3-yl)-1-phenylpyrrol-3-yl]-1-phenylpyrrol-3-yl]-1-phenylpyrrole
CID 102309649
Tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)
CID 139106207
tetrakis(N-(4-tert-butylphenyl)-1-pyrrol-1-id-2-ylmethanimine);molybdenum;tris(oxygen(2-))
CID 139142487
tetrakis(N-(4-tert-butylphenyl)-1-[4,5-di(propan-2-yl)pyrrol-1-id-2-yl]methanimine);molybdenum;oxolane;octakis(oxygen(2-))
CID 139142489
bis(cobalt(3+));bis(dichloromethane);bis((2Z)-2-[phenyl(pyrrol-1-id-2-yl)methylidene]-4-[2-[5-[(Z)-phenyl(pyrrol-2-ylidene)methyl]pyrrol-1-id-3-yl]propan-2-yl]pyrrole);(2Z)-2-[phenyl(pyrrol-1-id-2-yl)methylidene]-4-[2-[5-[(Z)-phenyl(2H-pyrrol-2-ylium-1-id-5-ylidene)methyl]pyrrol-1-id-3-yl]propan-2-yl]pyrrole
CID 139158099
CID 139194174
CID 139194174
Dilithium;oxolane;bis(pyrrol-1-id-2-ylmethylidene(trityl)azanium)
CID 168348393
Magnesium;oxolane;bis(pyrrol-1-id-2-ylmethylidene(trityl)azanium)
CID 168348394
Strontium;oxolane;bis(pyrrol-1-id-2-ylmethylidene(trityl)azanium)
CID 168348395
4,9,14,19,25-Pentamethyl-2,7,12,17,22-pentakis-phenyl-4,9,14,19,25-pentazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(26),3(30),5,8(29),10,13(28),15,18(27),20,23-decaene
CID 11147259
2-[3-[3,5-Bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole
CID 58652167
N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline
CID 90057927

Frequently Asked Questions

What is the IUPAC name of bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride?
The IUPAC name of bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride (CID 139112396) is bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride.
What is the SMILES notation for bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride?
The canonical SMILES for bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride is C1CCOC1.C1CCOC1.Cc1ccccc1.Cc1ccccc1.Cn1cccc1C(c1ccccc1)(c1ccccc1)c1ccc[n-]1.Cn1cccc1C(c1ccccc1)(c1ccccc1)c1ccc[n-]1.[Cl-].[Cl-].[Cr+2].[Cr+2].
What is the InChIKey of bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride?
The InChIKey is YPAKIDQGHDXADS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H19N2.2C7H8.2C4H8O.2ClH.2Cr/c2*1-24-17-9-15-21(24)22(20-14-8-16-23-20,18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;;;/h2*2-17H,1H3;2*2-6H,1H3;2*1-4H2;2*1H;;/q2*-1;;;;;;;2*+2/p-2.
What are the key properties of bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride?
bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride has a molecular weight of 1126.21 g/mol, XLogP of 8.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride is sourced from PubChem (CID 139112396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).