N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine

C30H27NP2S — CID 122550636

IUPACN,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine
SMILESc1ccc(P(c2ccccc2)N(CCc2cccs2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NP2S/c1-5-14-26(15-6-1)32(27-16-7-2-8-17-27)31(24-23-30-22-13-25-34-30)33(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-22,25H,23-24H2
InChIKeyKFVRAQSLBOVSLA-UHFFFAOYSA-N
MW495.57 g/mol
LogP6.69
Rot. Bonds9

About N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine

N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine (PubChem CID 122550636) has the molecular formula C30H27NP2S and a molecular weight of 495.57 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine
PubChem CID122550636
Molecular FormulaC30H27NP2S
Molecular Weight495.57 g/mol
Exact Mass495.13
IUPAC NameN,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine
SMILESc1ccc(P(c2ccccc2)N(CCc2cccs2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NP2S/c1-5-14-26(15-6-1)32(27-16-7-2-8-17-27)31(24-23-30-22-13-25-34-30)33(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-22,25H,23-24H2
InChIKeyKFVRAQSLBOVSLA-UHFFFAOYSA-N
XLogP6.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.57
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-(chloromethyl)thiophene;triphenylphosphane
CID 87275882
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
CID 59269201
CID 59269201
2-(8-phenyloct-4-enyl)thiophene
CID 70351967

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine (CID 122550636) is N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine is c1ccc(P(c2ccccc2)N(CCc2cccs2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine?
The InChIKey is KFVRAQSLBOVSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NP2S/c1-5-14-26(15-6-1)32(27-16-7-2-8-17-27)31(24-23-30-22-13-25-34-30)33(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-22,25H,23-24H2.
What are the key properties of N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine?
N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine has a molecular weight of 495.57 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 122550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).