10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine

C50H29N5O3 — CID 145413663

About 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine

10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine (PubChem CID 145413663) has the molecular formula C50H29N5O3 and a molecular weight of 747.81 g/mol. Its IUPAC name is 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine
• PubChem CID: 145413663
• Molecular Formula: C50H29N5O3
• Molecular Weight: 747.81 g/mol
• Exact Mass: 747.23
• IUPAC Name: 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)c2c(N3c4ccccc4Oc4ccccc43)ccc3c2c1-c1nccnc1-3
• InChI: InChI=1S/C50H29N5O3/c1-7-19-40-31(13-1)53(32-14-2-8-20-41(32)56-40)37-26-25-30-46-47(37)38(54-33-15-3-9-21-42(33)57-43-22-10-4-16-34(43)54)29-39(48(46)50-49(30)51-27-28-52-50)55-35-17-5-11-23-44(35)58-45-24-12-6-18-36(45)55/h1-29H
• InChIKey: IPFMSRZWBXLJRR-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 63.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.81
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine?

The IUPAC name of 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine (CID 145413663) is 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine.

What is the SMILES notation for 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine?

The canonical SMILES for 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(N2c3ccccc3Oc3ccccc32)c2c(N3c4ccccc4Oc4ccccc43)ccc3c2c1-c1nccnc1-3.

What is the InChIKey of 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine?

The InChIKey is IPFMSRZWBXLJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5O3/c1-7-19-40-31(13-1)53(32-14-2-8-20-41(32)56-40)37-26-25-30-46-47(37)38(54-33-15-3-9-21-42(33)57-43-22-10-4-16-34(43)54)29-39(48(46)50-49(30)51-27-28-52-50)55-35-17-5-11-23-44(35)58-45-24-12-6-18-36(45)55/h1-29H.

What are the key properties of 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine?

10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine has a molecular weight of 747.81 g/mol, XLogP of 14.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4,6-di(phenoxazin-10-yl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-2-yl]phenoxazine is sourced from PubChem (CID 145413663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).