[2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane

C50H44N4P2 — CID 15320392

IUPAC[2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane
SMILESCc1ccc2nc(P(c3ccccc3P(c3nc4ccc(C)cc4cc3C)c3nc4ccc(C)cc4cc3C)c3nc4ccc(C)cc4cc3C)c(C)cc2c1
InChIInChI=1S/C50H44N4P2/c1-29-13-17-41-37(21-29)25-33(5)47(51-41)55(48-34(6)26-38-22-30(2)14-18-42(38)52-48)45-11-9-10-12-46(45)56(49-35(7)27-39-23-31(3)15-19-43(39)53-49)50-36(8)28-40-24-32(4)16-20-44(40)54-50/h9-28H,1-8H3
InChIKeyVGQIPSIRMYXATQ-UHFFFAOYSA-N
MW762.88 g/mol
LogP9.86
Rot. Bonds6

About [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane

[2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane (PubChem CID 15320392) has the molecular formula C50H44N4P2 and a molecular weight of 762.88 g/mol. Its IUPAC name is [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane.

Molecular Properties

Compound Name[2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane
PubChem CID15320392
Molecular FormulaC50H44N4P2
Molecular Weight762.88 g/mol
Exact Mass762.30
IUPAC Name[2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane
SMILESCc1ccc2nc(P(c3ccccc3P(c3nc4ccc(C)cc4cc3C)c3nc4ccc(C)cc4cc3C)c3nc4ccc(C)cc4cc3C)c(C)cc2c1
InChIInChI=1S/C50H44N4P2/c1-29-13-17-41-37(21-29)25-33(5)47(51-41)55(48-34(6)26-38-22-30(2)14-18-42(38)52-48)45-11-9-10-12-46(45)56(49-35(7)27-39-23-31(3)15-19-43(39)53-49)50-36(8)28-40-24-32(4)16-20-44(40)54-50/h9-28H,1-8H3
InChIKeyVGQIPSIRMYXATQ-UHFFFAOYSA-N
XLogP9.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.88
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethylacridine
CID 14490101
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
N,3,6-trimethylquinolin-2-amine
CID 63231556
3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 58871253
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
6-methyl-1H-[1,2]oxazolo[3,4-b]quinolin-3-one
CID 153321138
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-chloro-6-methylquinolin-3-ol
CID 117246619
2-(iodomethyl)-6-methylquinoline
CID 138975713
2-methylnaphthalene;1,2-xylene
CID 142041411
6-methylquinoline
CID 7059
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578

Frequently Asked Questions

What is the IUPAC name of [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane?
The IUPAC name of [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane (CID 15320392) is [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane.
What is the SMILES notation for [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane?
The canonical SMILES for [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane is Cc1ccc2nc(P(c3ccccc3P(c3nc4ccc(C)cc4cc3C)c3nc4ccc(C)cc4cc3C)c3nc4ccc(C)cc4cc3C)c(C)cc2c1.
What is the InChIKey of [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane?
The InChIKey is VGQIPSIRMYXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N4P2/c1-29-13-17-41-37(21-29)25-33(5)47(51-41)55(48-34(6)26-38-22-30(2)14-18-42(38)52-48)45-11-9-10-12-46(45)56(49-35(7)27-39-23-31(3)15-19-43(39)53-49)50-36(8)28-40-24-32(4)16-20-44(40)54-50/h9-28H,1-8H3.
What are the key properties of [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane?
[2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane has a molecular weight of 762.88 g/mol, XLogP of 9.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(3,6-dimethylquinolin-2-yl)phosphanylphenyl]-bis(3,6-dimethylquinolin-2-yl)phosphane is sourced from PubChem (CID 15320392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).