chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)

C46H52CrP2 — CID 157416744

IUPACchromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)
SMILESCc1ccc(P(c2ccc[cH-]2)c2ccc(C)c(C)c2C)c(C)c1C.Cc1ccc(P(c2ccc[cH-]2)c2ccc(C)c(C)c2C)c(C)c1C.[Cr+2]
InChIInChI=1S/2C23H26P.Cr/c2*1-15-11-13-22(19(5)17(15)3)24(21-9-7-8-10-21)23-14-12-16(2)18(4)20(23)6;/h2*7-14H,1-6H3;/q2*-1;+2
InChIKeyBOXYNJVOCPUXRI-UHFFFAOYSA-N
MW718.87 g/mol
LogP10.03
Rot. Bonds6

About chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)

chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane) (PubChem CID 157416744) has the molecular formula C46H52CrP2 and a molecular weight of 718.87 g/mol. Its IUPAC name is chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane).

Molecular Properties

Compound Namechromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)
PubChem CID157416744
Molecular FormulaC46H52CrP2
Molecular Weight718.87 g/mol
Exact Mass718.29
IUPAC Namechromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)
SMILESCc1ccc(P(c2ccc[cH-]2)c2ccc(C)c(C)c2C)c(C)c1C.Cc1ccc(P(c2ccc[cH-]2)c2ccc(C)c(C)c2C)c(C)c1C.[Cr+2]
InChIInChI=1S/2C23H26P.Cr/c2*1-15-11-13-22(19(5)17(15)3)24(21-9-7-8-10-21)23-14-12-16(2)18(4)20(23)6;/h2*7-14H,1-6H3;/q2*-1;+2
InChIKeyBOXYNJVOCPUXRI-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.87
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenyl-bis(2,3,4-trimethylphenyl)phosphane
CID 19817893
dimethyl-(2,3,4-trimethylphenyl)phosphane
CID 90111171
bis(2,3,4-trimethylphenyl)phosphinous acid
CID 175402042
bis(2-ethenylphenyl)-(2,3,4-trimethylphenyl)phosphane
CID 151642542
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
chromium(2+);bis(1-methylcyclopenta-1,3-diene)
CID 160665189
[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane
CID 90109663
[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane
CID 90110540
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
(2,3,4-trimethylphenyl)phosphane
CID 19864163
bis(1-methylcyclopenta-1,3-diene);zirconium(2+)
CID 131719615

Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)?
The IUPAC name of chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane) (CID 157416744) is chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane).
What is the SMILES notation for chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)?
The canonical SMILES for chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane) is Cc1ccc(P(c2ccc[cH-]2)c2ccc(C)c(C)c2C)c(C)c1C.Cc1ccc(P(c2ccc[cH-]2)c2ccc(C)c(C)c2C)c(C)c1C.[Cr+2].
What is the InChIKey of chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)?
The InChIKey is BOXYNJVOCPUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26P.Cr/c2*1-15-11-13-22(19(5)17(15)3)24(21-9-7-8-10-21)23-14-12-16(2)18(4)20(23)6;/h2*7-14H,1-6H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)?
chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane) has a molecular weight of 718.87 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane) is sourced from PubChem (CID 157416744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).