6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]

C48H37Br2N2O+ — CID 11147357

About 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]

6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole] (PubChem CID 11147357) has the molecular formula C48H37Br2N2O+ and a molecular weight of 817.65 g/mol. Its IUPAC name is 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole].

Molecular Properties

• Compound Name: 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]
• PubChem CID: 11147357
• Molecular Formula: C48H37Br2N2O+
• Molecular Weight: 817.65 g/mol
• Exact Mass: 815.13
• IUPAC Name: 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]
• SMILES: CN1c2ccccc2C(C)(C)C12C=Cc1cc(-[n+]3c(-c4ccc(Br)cc4)cc(-c4ccccc4)cc3-c3ccc(Br)cc3)cc(-c3ccccc3)c1O2
• InChI: InChI=1S/C48H37Br2N2O/c1-47(2)42-16-10-11-17-43(42)51(3)48(47)27-26-36-28-40(31-41(46(36)53-48)33-14-8-5-9-15-33)52-44(34-18-22-38(49)23-19-34)29-37(32-12-6-4-7-13-32)30-45(52)35-20-24-39(50)25-21-35/h4-31H,1-3H3/q+1
• InChIKey: LXANLEBZKJPYAE-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 16.35 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.65
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]?

The IUPAC name of 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole] (CID 11147357) is 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole].

What is the SMILES notation for 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]?

The canonical SMILES for 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1cc(-[n+]3c(-c4ccc(Br)cc4)cc(-c4ccccc4)cc3-c3ccc(Br)cc3)cc(-c3ccccc3)c1O2.

What is the InChIKey of 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]?

The InChIKey is LXANLEBZKJPYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37Br2N2O/c1-47(2)42-16-10-11-17-43(42)51(3)48(47)27-26-36-28-40(31-41(46(36)53-48)33-14-8-5-9-15-33)52-44(34-18-22-38(49)23-19-34)29-37(32-12-6-4-7-13-32)30-45(52)35-20-24-39(50)25-21-35/h4-31H,1-3H3/q+1.

What are the key properties of 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]?

6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole] has a molecular weight of 817.65 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 11147357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).