N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine

C46H42NOP — CID 166447913

IUPACN-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)[P@@](=O)(c1ccccc1)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C46H42NOP/c1-33(2)47(34(3)4)49(48,38-27-15-8-16-28-38)42-32-20-19-31-41(42)46-40-30-18-17-29-39(40)43(35-21-9-5-10-22-35)44(36-23-11-6-12-24-36)45(46)37-25-13-7-14-26-37/h5-34H,1-4H3/t49-/m1/s1
InChIKeyUSPSWCPMRXTSMM-ANFMRNGASA-N
MW655.82 g/mol
LogP11.86
Rot. Bonds9

About N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine

N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine (PubChem CID 166447913) has the molecular formula C46H42NOP and a molecular weight of 655.82 g/mol. Its IUPAC name is N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine
PubChem CID166447913
Molecular FormulaC46H42NOP
Molecular Weight655.82 g/mol
Exact Mass655.30
IUPAC NameN-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)[P@@](=O)(c1ccccc1)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C46H42NOP/c1-33(2)47(34(3)4)49(48,38-27-15-8-16-28-38)42-32-20-19-31-41(42)46-40-30-18-17-29-39(40)43(35-21-9-5-10-22-35)44(36-23-11-6-12-24-36)45(46)37-25-13-7-14-26-37/h5-34H,1-4H3/t49-/m1/s1
InChIKeyUSPSWCPMRXTSMM-ANFMRNGASA-N
XLogP11.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.82
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine (CID 166447913) is N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)[P@@](=O)(c1ccccc1)c1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine?
The InChIKey is USPSWCPMRXTSMM-ANFMRNGASA-N. The full InChI is InChI=1S/C46H42NOP/c1-33(2)47(34(3)4)49(48,38-27-15-8-16-28-38)42-32-20-19-31-41(42)46-40-30-18-17-29-39(40)43(35-21-9-5-10-22-35)44(36-23-11-6-12-24-36)45(46)37-25-13-7-14-26-37/h5-34H,1-4H3/t49-/m1/s1.
What are the key properties of N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine?
N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine has a molecular weight of 655.82 g/mol, XLogP of 11.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 166447913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).