[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane

C29H36NP — CID 178003983

IUPAC[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane
SMILES[H]N=P(C)(C)c1ccccc1C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C29H36NP/c1-28(2,3)19-13-15-21-22-16-14-20(29(4,5)6)18-25(22)27(24(21)17-19)23-11-9-10-12-26(23)31(7,8)30/h9-18,27,30H,1-8H3
InChIKeyYRIJYLOUMFVYMV-UHFFFAOYSA-N
MW429.59 g/mol
LogP8.11
Rot. Bonds2

About [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane

[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane (PubChem CID 178003983) has the molecular formula C29H36NP and a molecular weight of 429.59 g/mol. Its IUPAC name is [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane.

Molecular Properties

Compound Name[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane
PubChem CID178003983
Molecular FormulaC29H36NP
Molecular Weight429.59 g/mol
Exact Mass429.26
IUPAC Name[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane
SMILES[H]N=P(C)(C)c1ccccc1C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C29H36NP/c1-28(2,3)19-13-15-21-22-16-14-20(29(4,5)6)18-25(22)27(24(21)17-19)23-11-9-10-12-26(23)31(7,8)30/h9-18,27,30H,1-8H3
InChIKeyYRIJYLOUMFVYMV-UHFFFAOYSA-N
XLogP8.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 58.11
H-Bond Donors ≤ 51
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 [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane?
The IUPAC name of [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane (CID 178003983) is [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane.
What is the SMILES notation for [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane?
The canonical SMILES for [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane is [H]N=P(C)(C)c1ccccc1C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.
What is the InChIKey of [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane?
The InChIKey is YRIJYLOUMFVYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36NP/c1-28(2,3)19-13-15-21-22-16-14-20(29(4,5)6)18-25(22)27(24(21)17-19)23-11-9-10-12-26(23)31(7,8)30/h9-18,27,30H,1-8H3.
What are the key properties of [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane?
[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane has a molecular weight of 429.59 g/mol, XLogP of 8.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane is sourced from PubChem (CID 178003983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).