6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane

C38H48P2 — CID 18324350

IUPAC6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(CCCCCCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C38H48P2/c1-27-15-28(2)20-35(19-27)39(36-21-29(3)16-30(4)22-36)13-11-9-10-12-14-40(37-23-31(5)17-32(6)24-37)38-25-33(7)18-34(8)26-38/h15-26H,9-14H2,1-8H3
InChIKeyHBVWPUCKRNRSLU-UHFFFAOYSA-N
MW566.75 g/mol
LogP9.28
Rot. Bonds11

About 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane

6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane (PubChem CID 18324350) has the molecular formula C38H48P2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane
PubChem CID18324350
Molecular FormulaC38H48P2
Molecular Weight566.75 g/mol
Exact Mass566.32
IUPAC Name6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(CCCCCCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C38H48P2/c1-27-15-28(2)20-35(19-27)39(36-21-29(3)16-30(4)22-36)13-11-9-10-12-14-40(37-23-31(5)17-32(6)24-37)38-25-33(7)18-34(8)26-38/h15-26H,9-14H2,1-8H3
InChIKeyHBVWPUCKRNRSLU-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane (CID 18324350) is 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(CCCCCCP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is HBVWPUCKRNRSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48P2/c1-27-15-28(2)20-35(19-27)39(36-21-29(3)16-30(4)22-36)13-11-9-10-12-14-40(37-23-31(5)17-32(6)24-37)38-25-33(7)18-34(8)26-38/h15-26H,9-14H2,1-8H3.
What are the key properties of 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane?
6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 566.75 g/mol, XLogP of 9.28, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bis(3,5-dimethylphenyl)phosphanylhexyl-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 18324350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).