(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C34H31NP2 — CID 71608542

IUPAC(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc(P(N[C@@H]2CCCc3cccc(P(c4ccccc4)c4ccccc4)c32)c2ccccc2)cc1
InChIInChI=1S/C34H31NP2/c1-5-17-28(18-6-1)36(29-19-7-2-8-20-29)33-26-14-16-27-15-13-25-32(34(27)33)35-37(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-12,14,16-24,26,32,35H,13,15,25H2/t32-/m1/s1
InChIKeyOKAIVAPYJUIWCQ-JGCGQSQUSA-N
MW515.58 g/mol
LogP6.46
Rot. Bonds7

About (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 71608542) has the molecular formula C34H31NP2 and a molecular weight of 515.58 g/mol. Its IUPAC name is (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID71608542
Molecular FormulaC34H31NP2
Molecular Weight515.58 g/mol
Exact Mass515.19
IUPAC Name(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc(P(N[C@@H]2CCCc3cccc(P(c4ccccc4)c4ccccc4)c32)c2ccccc2)cc1
InChIInChI=1S/C34H31NP2/c1-5-17-28(18-6-1)36(29-19-7-2-8-20-29)33-26-14-16-27-15-13-25-32(34(27)33)35-37(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-12,14,16-24,26,32,35H,13,15,25H2/t32-/m1/s1
InChIKeyOKAIVAPYJUIWCQ-JGCGQSQUSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058
(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
CID 134992051
N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 132532385
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine
CID 87643096
[1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 157063230
1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
CID 4270592
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
bis([1-[2-bis(3-methylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-bis(3-methylphenyl)phosphane);[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 158761119
[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
CID 45258076
[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 134863950
1H-inden-4-yl(diphenyl)phosphane
CID 102082099
8-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445416

Frequently Asked Questions

What is the IUPAC name of (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 71608542) is (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is c1ccc(P(N[C@@H]2CCCc3cccc(P(c4ccccc4)c4ccccc4)c32)c2ccccc2)cc1.
What is the InChIKey of (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OKAIVAPYJUIWCQ-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H31NP2/c1-5-17-28(18-6-1)36(29-19-7-2-8-20-29)33-26-14-16-27-15-13-25-32(34(27)33)35-37(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-12,14,16-24,26,32,35H,13,15,25H2/t32-/m1/s1.
What are the key properties of (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 515.58 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 71608542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).