ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane

C26H30N3P — CID 58856364

IUPACditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane
SMILESCC(C)(C)P(c1nnn(-c2ccccc2)c1-c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C26H30N3P/c1-25(2,3)30(26(4,5)6)24-23(29(28-27-24)20-15-8-7-9-16-20)22-18-12-14-19-13-10-11-17-21(19)22/h7-18H,1-6H3
InChIKeyCSYBDDWJCFGLPF-UHFFFAOYSA-N
MW415.52 g/mol
LogP6.79
Rot. Bonds3

About ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane

ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane (PubChem CID 58856364) has the molecular formula C26H30N3P and a molecular weight of 415.52 g/mol. Its IUPAC name is ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane
PubChem CID58856364
Molecular FormulaC26H30N3P
Molecular Weight415.52 g/mol
Exact Mass415.22
IUPAC Nameditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane
SMILESCC(C)(C)P(c1nnn(-c2ccccc2)c1-c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C26H30N3P/c1-25(2,3)30(26(4,5)6)24-23(29(28-27-24)20-15-8-7-9-16-20)22-18-12-14-19-13-10-11-17-21(19)22/h7-18H,1-6H3
InChIKeyCSYBDDWJCFGLPF-UHFFFAOYSA-N
XLogP6.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane 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

ditert-butyl-[5-(2-methoxyphenyl)-1-phenyltriazol-4-yl]phosphane
CID 58856361
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
CID 165352090
(1R)-1-(5-naphthalen-1-yl-4-phenyltriazol-1-yl)ethanol
CID 134822321
9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
CID 121241302
9-(3-carbazol-9-ylphenyl)-4-(1,5-diphenyltriazol-4-yl)carbazole
CID 121241303
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane?
The IUPAC name of ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane (CID 58856364) is ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane.
What is the SMILES notation for ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane?
The canonical SMILES for ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane is CC(C)(C)P(c1nnn(-c2ccccc2)c1-c1cccc2ccccc12)C(C)(C)C.
What is the InChIKey of ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane?
The InChIKey is CSYBDDWJCFGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N3P/c1-25(2,3)30(26(4,5)6)24-23(29(28-27-24)20-15-8-7-9-16-20)22-18-12-14-19-13-10-11-17-21(19)22/h7-18H,1-6H3.
What are the key properties of ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane?
ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane has a molecular weight of 415.52 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(5-naphthalen-1-yl-1-phenyltriazol-4-yl)phosphane is sourced from PubChem (CID 58856364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).