[1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane

C52H56O2P2 — CID 11468396

IUPAC[1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Oc2ccc3c(c2-c2c(OP(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2CCCC4)CCCC3)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C52H56O2P2/c1-33-21-34(2)26-43(25-33)55(44-27-35(3)22-36(4)28-44)53-49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54-56(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h17-32H,9-16H2,1-8H3
InChIKeyMNBSMPCFOQAWDB-UHFFFAOYSA-N
MW774.97 g/mol
LogP12.43
Rot. Bonds9

About [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane

[1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane (PubChem CID 11468396) has the molecular formula C52H56O2P2 and a molecular weight of 774.97 g/mol. Its IUPAC name is [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane
PubChem CID11468396
Molecular FormulaC52H56O2P2
Molecular Weight774.97 g/mol
Exact Mass774.38
IUPAC Name[1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Oc2ccc3c(c2-c2c(OP(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2CCCC4)CCCC3)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C52H56O2P2/c1-33-21-34(2)26-43(25-33)55(44-27-35(3)22-36(4)28-44)53-49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54-56(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h17-32H,9-16H2,1-8H3
InChIKeyMNBSMPCFOQAWDB-UHFFFAOYSA-N
XLogP12.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane (CID 11468396) is [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(Oc2ccc3c(c2-c2c(OP(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2CCCC4)CCCC3)c2cc(C)cc(C)c2)c1.
What is the InChIKey of [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is MNBSMPCFOQAWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56O2P2/c1-33-21-34(2)26-43(25-33)55(44-27-35(3)22-36(4)28-44)53-49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54-56(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h17-32H,9-16H2,1-8H3.
What are the key properties of [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane?
[1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 774.97 g/mol, XLogP of 12.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(3,5-dimethylphenyl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 11468396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).