3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide

C24H26BrN3 — CID 24841152

IUPAC3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
SMILESCN(C)c1ccc2c(c1)c(-c1ccccc1)[n+](C)c1cc(N(C)C)ccc21.[Br-]
InChIInChI=1S/C24H26N3.BrH/c1-25(2)18-11-13-20-21-14-12-19(26(3)4)16-23(21)27(5)24(22(20)15-18)17-9-7-6-8-10-17;/h6-16H,1-5H3;1H/q+1;/p-1
InChIKeyBJFSJYBLRPLJDF-UHFFFAOYSA-M
MW436.40 g/mol
LogP1.62
Rot. Bonds3

About 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide

3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide (PubChem CID 24841152) has the molecular formula C24H26BrN3 and a molecular weight of 436.40 g/mol. Its IUPAC name is 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide.

Molecular Properties

Compound Name3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
PubChem CID24841152
Molecular FormulaC24H26BrN3
Molecular Weight436.40 g/mol
Exact Mass435.13
IUPAC Name3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
SMILESCN(C)c1ccc2c(c1)c(-c1ccccc1)[n+](C)c1cc(N(C)C)ccc21.[Br-]
InChIInChI=1S/C24H26N3.BrH/c1-25(2)18-11-13-20-21-14-12-19(26(3)4)16-23(21)27(5)24(22(20)15-18)17-9-7-6-8-10-17;/h6-16H,1-5H3;1H/q+1;/p-1
InChIKeyBJFSJYBLRPLJDF-UHFFFAOYSA-M
XLogP1.62
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide 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 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide?
The IUPAC name of 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide (CID 24841152) is 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide.
What is the SMILES notation for 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide?
The canonical SMILES for 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide is CN(C)c1ccc2c(c1)c(-c1ccccc1)[n+](C)c1cc(N(C)C)ccc21.[Br-].
What is the InChIKey of 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide?
The InChIKey is BJFSJYBLRPLJDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26N3.BrH/c1-25(2)18-11-13-20-21-14-12-19(26(3)4)16-23(21)27(5)24(22(20)15-18)17-9-7-6-8-10-17;/h6-16H,1-5H3;1H/q+1;/p-1.
What are the key properties of 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide?
3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide has a molecular weight of 436.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,8-N,8-N,5-pentamethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide is sourced from PubChem (CID 24841152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).