N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine

C34H36NO3P — CID 172829622

IUPACN-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H36NO3P/c1-23(2)35(24(3)4)39(36,37-21-33-29-17-9-5-13-25(29)26-14-6-10-18-30(26)33)38-22-34-31-19-11-7-15-27(31)28-16-8-12-20-32(28)34/h5-20,23-24,33-34H,21-22H2,1-4H3
InChIKeyVIMGKFWOSVQLOE-UHFFFAOYSA-N
MW537.64 g/mol
LogP8.87
Rot. Bonds9

About N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine

N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine (PubChem CID 172829622) has the molecular formula C34H36NO3P and a molecular weight of 537.64 g/mol. Its IUPAC name is N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
PubChem CID172829622
Molecular FormulaC34H36NO3P
Molecular Weight537.64 g/mol
Exact Mass537.24
IUPAC NameN-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H36NO3P/c1-23(2)35(24(3)4)39(36,37-21-33-29-17-9-5-13-25(29)26-14-6-10-18-30(26)33)38-22-34-31-19-11-7-15-27(31)28-16-8-12-20-32(28)34/h5-20,23-24,33-34H,21-22H2,1-4H3
InChIKeyVIMGKFWOSVQLOE-UHFFFAOYSA-N
XLogP8.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.64
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl methyl hydrogen phosphate
CID 129027379
1-(9H-fluoren-9-ylmethoxy)ethanol
CID 143514998
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
[(5aS,6R,7R,8S,9R,9aR)-6-[bis(9H-fluoren-9-ylmethoxy)phosphoryloxy]-8,9-dihydroxy-2,2,4,4-tetra(propan-2-yl)-5a,6,7,8,9,9a-hexahydrobenzo[f][1,3,5,2,4]trioxadisilepin-7-yl] bis(9H-fluoren-9-ylmethyl) phosphate
CID 101227246
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
CID 175476365
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
CID 131964913
lithium 9-ethyl-9H-fluorene
CID 23225742
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495

Frequently Asked Questions

What is the IUPAC name of N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine (CID 172829622) is N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(=O)(OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VIMGKFWOSVQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36NO3P/c1-23(2)35(24(3)4)39(36,37-21-33-29-17-9-5-13-25(29)26-14-6-10-18-30(26)33)38-22-34-31-19-11-7-15-27(31)28-16-8-12-20-32(28)34/h5-20,23-24,33-34H,21-22H2,1-4H3.
What are the key properties of N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine?
N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine has a molecular weight of 537.64 g/mol, XLogP of 8.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(9H-fluoren-9-ylmethoxy)phosphoryl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 172829622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).