2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine

C34H30N4O2 — CID 171073548

IUPAC2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
SMILESc1cc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6[nH]ccc6c5)ccc3O4)ccc2[nH]1
InChIInChI=1S/C34H30N4O2/c1-5-29-27(9-11-35-29)19-23(1)25-3-7-33-31(21-25)38(14-13-37-15-17-39-18-16-37)32-22-26(4-8-34(32)40-33)24-2-6-30-28(20-24)10-12-36-30/h1-12,19-22,35-36H,13-18H2
InChIKeySBVLPKACUCDVIE-UHFFFAOYSA-N
MW526.64 g/mol
LogP7.56
Rot. Bonds5

About 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine

2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine (PubChem CID 171073548) has the molecular formula C34H30N4O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine.

Molecular Properties

Compound Name2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
PubChem CID171073548
Molecular FormulaC34H30N4O2
Molecular Weight526.64 g/mol
Exact Mass526.24
IUPAC Name2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine
SMILESc1cc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6[nH]ccc6c5)ccc3O4)ccc2[nH]1
InChIInChI=1S/C34H30N4O2/c1-5-29-27(9-11-35-29)19-23(1)25-3-7-33-31(21-25)38(14-13-37-15-17-39-18-16-37)32-22-26(4-8-34(32)40-33)24-2-6-30-28(20-24)10-12-36-30/h1-12,19-22,35-36H,13-18H2
InChIKeySBVLPKACUCDVIE-UHFFFAOYSA-N
XLogP7.56
TPSA56.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The IUPAC name of 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine (CID 171073548) is 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine.
What is the SMILES notation for 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The canonical SMILES for 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine is c1cc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)c3cc(-c5ccc6[nH]ccc6c5)ccc3O4)ccc2[nH]1.
What is the InChIKey of 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
The InChIKey is SBVLPKACUCDVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O2/c1-5-29-27(9-11-35-29)19-23(1)25-3-7-33-31(21-25)38(14-13-37-15-17-39-18-16-37)32-22-26(4-8-34(32)40-33)24-2-6-30-28(20-24)10-12-36-30/h1-12,19-22,35-36H,13-18H2.
What are the key properties of 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine?
2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine has a molecular weight of 526.64 g/mol, XLogP of 7.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(1H-indol-5-yl)-10-(2-morpholin-4-ylethyl)phenoxazine is sourced from PubChem (CID 171073548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).