1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

C38H44NP — CID 11376230

IUPAC1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)c1
InChIInChI=1S/C38H44NP/c1-25-19-26(2)22-31(21-25)40(32-23-27(3)20-28(4)24-32)36-18-16-30-12-8-10-14-34(30)38(36)37-33-13-9-7-11-29(33)15-17-35(37)39(5)6/h15-24H,7-14H2,1-6H3
InChIKeyLVHGHRLHIRQNFH-UHFFFAOYSA-N
MW545.75 g/mol
LogP8.17
Rot. Bonds5

About 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 11376230) has the molecular formula C38H44NP and a molecular weight of 545.75 g/mol. Its IUPAC name is 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID11376230
Molecular FormulaC38H44NP
Molecular Weight545.75 g/mol
Exact Mass545.32
IUPAC Name1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)c1
InChIInChI=1S/C38H44NP/c1-25-19-26(2)22-31(21-25)40(32-23-27(3)20-28(4)24-32)36-18-16-30-12-8-10-14-34(30)38(36)37-33-13-9-7-11-29(33)15-17-35(37)39(5)6/h15-24H,7-14H2,1-6H3
InChIKeyLVHGHRLHIRQNFH-UHFFFAOYSA-N
XLogP8.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.75
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 11376230) is 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)c1.
What is the InChIKey of 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is LVHGHRLHIRQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44NP/c1-25-19-26(2)22-31(21-25)40(32-23-27(3)20-28(4)24-32)36-18-16-30-12-8-10-14-34(30)38(36)37-33-13-9-7-11-29(33)15-17-35(37)39(5)6/h15-24H,7-14H2,1-6H3.
What are the key properties of 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 545.75 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(3,5-dimethylphenyl)phosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl]-N,N-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 11376230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).