(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole

C24H32P2 — CID 88895657

IUPAC(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole
SMILESCC(C)(C)P1Cc2ccccc2C1C1c2ccccc2C[P@]1C(C)(C)C
InChIInChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21?,22?,25-,26?/m0/s1
InChIKeyHCBRTCFUVLYSKU-YWSJGMOJSA-N
MW382.47 g/mol
LogP8.06
Rot. Bonds1

About (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole

(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole (PubChem CID 88895657) has the molecular formula C24H32P2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole
PubChem CID88895657
Molecular FormulaC24H32P2
Molecular Weight382.47 g/mol
Exact Mass382.20
IUPAC Name(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole
SMILESCC(C)(C)P1Cc2ccccc2C1C1c2ccccc2C[P@]1C(C)(C)C
InChIInChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21?,22?,25-,26?/m0/s1
InChIKeyHCBRTCFUVLYSKU-YWSJGMOJSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole?
The IUPAC name of (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole (CID 88895657) is (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole.
What is the SMILES notation for (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole?
The canonical SMILES for (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole is CC(C)(C)P1Cc2ccccc2C1C1c2ccccc2C[P@]1C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole?
The InChIKey is HCBRTCFUVLYSKU-YWSJGMOJSA-N. The full InChI is InChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21?,22?,25-,26?/m0/s1.
What are the key properties of (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole?
(2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole has a molecular weight of 382.47 g/mol, XLogP of 8.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1-(2-tert-butyl-1,3-dihydroisophosphindol-1-yl)-1,3-dihydroisophosphindole is sourced from PubChem (CID 88895657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).