1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium

C67H70N2P4+4 — CID 159531312

IUPAC1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium
SMILESCC1CCCCC1N1[P+](c2ccccc2)(c2ccccc2)C[P+]1(c1ccccc1)c1ccccc1.Cc1cccc(C(C)C)c1N1[P+](c2ccccc2)(c2ccccc2)C[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H35NP2.C32H35NP2/c1-28(2)34-26-16-17-29(3)35(34)36-37(30-18-8-4-9-19-30,31-20-10-5-11-21-31)27-38(36,32-22-12-6-13-23-32)33-24-14-7-15-25-33;1-27-16-14-15-25-32(27)33-34(28-17-6-2-7-18-28,29-19-8-3-9-20-29)26-35(33,30-21-10-4-11-22-30)31-23-12-5-13-24-31/h4-26,28H,27H2,1-3H3;2-13,17-24,27,32H,14-16,25-26H2,1H3/q2*+2
InChIKeyMFQMVJBOPGHEQA-UHFFFAOYSA-N
MW1027.21 g/mol
LogP15.07
Rot. Bonds11

About 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium

1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium (PubChem CID 159531312) has the molecular formula C67H70N2P4+4 and a molecular weight of 1027.21 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium
PubChem CID159531312
Molecular FormulaC67H70N2P4+4
Molecular Weight1027.21 g/mol
Exact Mass1026.45
IUPAC Name1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium
SMILESCC1CCCCC1N1[P+](c2ccccc2)(c2ccccc2)C[P+]1(c1ccccc1)c1ccccc1.Cc1cccc(C(C)C)c1N1[P+](c2ccccc2)(c2ccccc2)C[P+]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H35NP2.C32H35NP2/c1-28(2)34-26-16-17-29(3)35(34)36-37(30-18-8-4-9-19-30,31-20-10-5-11-21-31)27-38(36,32-22-12-6-13-23-32)33-24-14-7-15-25-33;1-27-16-14-15-25-32(27)33-34(28-17-6-2-7-18-28,29-19-8-3-9-20-29)26-35(33,30-21-10-4-11-22-30)31-23-12-5-13-24-31/h4-26,28H,27H2,1-3H3;2-13,17-24,27,32H,14-16,25-26H2,1H3/q2*+2
InChIKeyMFQMVJBOPGHEQA-UHFFFAOYSA-N
XLogP15.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.21
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium with MolForge

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Related Compounds

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CID 157455985
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CID 162283408
1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylbenzene
CID 143070757
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(R)-(2-methylcyclopentyl)-(2-methylphenyl)methanol
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CID 125052761
bis(1-methyl-2-propan-2-ylbenzene);toluene
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium?
The IUPAC name of 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium (CID 159531312) is 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium.
What is the SMILES notation for 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium?
The canonical SMILES for 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium is CC1CCCCC1N1[P+](c2ccccc2)(c2ccccc2)C[P+]1(c1ccccc1)c1ccccc1.Cc1cccc(C(C)C)c1N1[P+](c2ccccc2)(c2ccccc2)C[P+]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium?
The InChIKey is MFQMVJBOPGHEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NP2.C32H35NP2/c1-28(2)34-26-16-17-29(3)35(34)36-37(30-18-8-4-9-19-30,31-20-10-5-11-21-31)27-38(36,32-22-12-6-13-23-32)33-24-14-7-15-25-33;1-27-16-14-15-25-32(27)33-34(28-17-6-2-7-18-28,29-19-8-3-9-20-29)26-35(33,30-21-10-4-11-22-30)31-23-12-5-13-24-31/h4-26,28H,27H2,1-3H3;2-13,17-24,27,32H,14-16,25-26H2,1H3/q2*+2.
What are the key properties of 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium?
1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium has a molecular weight of 1027.21 g/mol, XLogP of 15.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium;1-(2-methyl-6-propan-2-ylphenyl)-2,2,4,4-tetraphenyl-1,2,4-azadiphosphetidine-2,4-diium is sourced from PubChem (CID 159531312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).