dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium

C30H26NO+ — CID 20528753

IUPACdibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium
SMILESCc1oc2cc(=[N+](Cc3ccccc3)Cc3ccccc3)ccc-2cc1-c1ccccc1
InChIInChI=1S/C30H26NO/c1-23-29(26-15-9-4-10-16-26)19-27-17-18-28(20-30(27)32-23)31(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-20H,21-22H2,1H3/q+1
InChIKeyCLDTXTVNZMTCPF-UHFFFAOYSA-N
MW416.54 g/mol
LogP6.53
Rot. Bonds5

About dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium

dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium (PubChem CID 20528753) has the molecular formula C30H26NO+ and a molecular weight of 416.54 g/mol. Its IUPAC name is dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium.

Molecular Properties

Compound Namedibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium
PubChem CID20528753
Molecular FormulaC30H26NO+
Molecular Weight416.54 g/mol
Exact Mass416.20
IUPAC Namedibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium
SMILESCc1oc2cc(=[N+](Cc3ccccc3)Cc3ccccc3)ccc-2cc1-c1ccccc1
InChIInChI=1S/C30H26NO/c1-23-29(26-15-9-4-10-16-26)19-27-17-18-28(20-30(27)32-23)31(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-20H,21-22H2,1H3/q+1
InChIKeyCLDTXTVNZMTCPF-UHFFFAOYSA-N
XLogP6.53
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium 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 dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium?
The IUPAC name of dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium (CID 20528753) is dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium.
What is the SMILES notation for dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium?
The canonical SMILES for dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium is Cc1oc2cc(=[N+](Cc3ccccc3)Cc3ccccc3)ccc-2cc1-c1ccccc1.
What is the InChIKey of dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium?
The InChIKey is CLDTXTVNZMTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26NO/c1-23-29(26-15-9-4-10-16-26)19-27-17-18-28(20-30(27)32-23)31(21-24-11-5-2-6-12-24)22-25-13-7-3-8-14-25/h2-20H,21-22H2,1H3/q+1.
What are the key properties of dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium?
dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium has a molecular weight of 416.54 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-(2-methyl-3-phenylchromen-7-ylidene)azanium is sourced from PubChem (CID 20528753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).