4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene

C34H48N2P2 — CID 139115593

IUPAC4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene
SMILESCCc1[p-]c(CC)c(CC)c1CC.Cc1cc(C)c(-n2p[n+](-c3c(C)cc(C)cc3C)c(C)c2C)c(C)c1
InChIInChI=1S/C22H28N2P.C12H20P/c1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24(25-23)22-17(5)11-14(2)12-18(22)6;1-5-9-10(6-2)12(8-4)13-11(9)7-3/h9-12H,1-8H3;5-8H2,1-4H3/q+1;-1
InChIKeyPPRHRKSMVUDISU-UHFFFAOYSA-N
MW546.72 g/mol
LogP10.04
Rot. Bonds6

About 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene

4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene (PubChem CID 139115593) has the molecular formula C34H48N2P2 and a molecular weight of 546.72 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene.

Molecular Properties

Compound Name4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene
PubChem CID139115593
Molecular FormulaC34H48N2P2
Molecular Weight546.72 g/mol
Exact Mass546.33
IUPAC Name4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene
SMILESCCc1[p-]c(CC)c(CC)c1CC.Cc1cc(C)c(-n2p[n+](-c3c(C)cc(C)cc3C)c(C)c2C)c(C)c1
InChIInChI=1S/C22H28N2P.C12H20P/c1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24(25-23)22-17(5)11-14(2)12-18(22)6;1-5-9-10(6-2)12(8-4)13-11(9)7-3/h9-12H,1-8H3;5-8H2,1-4H3/q+1;-1
InChIKeyPPRHRKSMVUDISU-UHFFFAOYSA-N
XLogP10.04
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene?
The IUPAC name of 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene (CID 139115593) is 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene.
What is the SMILES notation for 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene?
The canonical SMILES for 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene is CCc1[p-]c(CC)c(CC)c1CC.Cc1cc(C)c(-n2p[n+](-c3c(C)cc(C)cc3C)c(C)c2C)c(C)c1.
What is the InChIKey of 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene?
The InChIKey is PPRHRKSMVUDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2P.C12H20P/c1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24(25-23)22-17(5)11-14(2)12-18(22)6;1-5-9-10(6-2)12(8-4)13-11(9)7-3/h9-12H,1-8H3;5-8H2,1-4H3/q+1;-1.
What are the key properties of 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene?
4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene has a molecular weight of 546.72 g/mol, XLogP of 10.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium;2,3,4,5-tetraethyl-1-phosphanidacyclopenta-2,4-diene is sourced from PubChem (CID 139115593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).