10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine

C34H21N7O — CID 129289400

IUPAC10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
SMILESc1ccc(-c2nnc3c4nnc(-c5ccccc5)n4c4cc(N5c6ccccc6Oc6ccccc65)ccc4n23)cc1
InChIInChI=1S/C34H21N7O/c1-3-11-22(12-4-1)31-35-37-33-34-38-36-32(23-13-5-2-6-14-23)41(34)28-21-24(19-20-25(28)40(31)33)39-26-15-7-9-17-29(26)42-30-18-10-8-16-27(30)39/h1-21H
InChIKeyBEWYWCUFVATSTO-UHFFFAOYSA-N
MW543.59 g/mol
LogP7.83
Rot. Bonds3

About 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine

10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine (PubChem CID 129289400) has the molecular formula C34H21N7O and a molecular weight of 543.59 g/mol. Its IUPAC name is 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine.

Molecular Properties

Compound Name10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
PubChem CID129289400
Molecular FormulaC34H21N7O
Molecular Weight543.59 g/mol
Exact Mass543.18
IUPAC Name10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
SMILESc1ccc(-c2nnc3c4nnc(-c5ccccc5)n4c4cc(N5c6ccccc6Oc6ccccc65)ccc4n23)cc1
InChIInChI=1S/C34H21N7O/c1-3-11-22(12-4-1)31-35-37-33-34-38-36-32(23-13-5-2-6-14-23)41(34)28-21-24(19-20-25(28)40(31)33)39-26-15-7-9-17-29(26)42-30-18-10-8-16-27(30)39/h1-21H
InChIKeyBEWYWCUFVATSTO-UHFFFAOYSA-N
XLogP7.83
TPSA72.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.59
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine 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 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
The IUPAC name of 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine (CID 129289400) is 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine.
What is the SMILES notation for 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
The canonical SMILES for 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine is c1ccc(-c2nnc3c4nnc(-c5ccccc5)n4c4cc(N5c6ccccc6Oc6ccccc65)ccc4n23)cc1.
What is the InChIKey of 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
The InChIKey is BEWYWCUFVATSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N7O/c1-3-11-22(12-4-1)31-35-37-33-34-38-36-32(23-13-5-2-6-14-23)41(34)28-21-24(19-20-25(28)40(31)33)39-26-15-7-9-17-29(26)42-30-18-10-8-16-27(30)39/h1-21H.
What are the key properties of 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine has a molecular weight of 543.59 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,10-diphenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine is sourced from PubChem (CID 129289400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).