N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine

C33H29NP2 — CID 118876038

IUPACN,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine
SMILESc1ccc(P(c2ccccc2)N(c2cccc3c2CCC3)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H29NP2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)34(33-26-14-16-27-15-13-25-32(27)33)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-12,14,16-24,26H,13,15,25H2
InChIKeyPIHUFHFXNRSXDO-UHFFFAOYSA-N
MW501.55 g/mol
LogP7.08
Rot. Bonds7

About N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine

N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 118876038) has the molecular formula C33H29NP2 and a molecular weight of 501.55 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID118876038
Molecular FormulaC33H29NP2
Molecular Weight501.55 g/mol
Exact Mass501.18
IUPAC NameN,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine
SMILESc1ccc(P(c2ccccc2)N(c2cccc3c2CCC3)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H29NP2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)34(33-26-14-16-27-15-13-25-32(27)33)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-12,14,16-24,26H,13,15,25H2
InChIKeyPIHUFHFXNRSXDO-UHFFFAOYSA-N
XLogP7.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 57.08
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,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine (CID 118876038) is N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine is c1ccc(P(c2ccccc2)N(c2cccc3c2CCC3)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is PIHUFHFXNRSXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NP2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)34(33-26-14-16-27-15-13-25-32(27)33)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-12,14,16-24,26H,13,15,25H2.
What are the key properties of N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine?
N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 501.55 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 118876038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).