10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine

C40H25N5O2 — CID 118429616

IUPAC10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2nc3cc(N4c5ccccc5Oc5ccccc54)c4ccccc4c3n2)cc1
InChIInChI=1S/C40H25N5O2/c1-2-12-29-28(11-1)35(44-33-15-5-9-19-38(33)47-39-20-10-6-16-34(39)44)25-30-40(29)42-45(41-30)27-23-21-26(22-24-27)43-31-13-3-7-17-36(31)46-37-18-8-4-14-32(37)43/h1-25H
InChIKeyNAYKAVGLBKXVDD-UHFFFAOYSA-N
MW607.67 g/mol
LogP10.72
Rot. Bonds3

About 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine

10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine (PubChem CID 118429616) has the molecular formula C40H25N5O2 and a molecular weight of 607.67 g/mol. Its IUPAC name is 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine
PubChem CID118429616
Molecular FormulaC40H25N5O2
Molecular Weight607.67 g/mol
Exact Mass607.20
IUPAC Name10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2nc3cc(N4c5ccccc5Oc5ccccc54)c4ccccc4c3n2)cc1
InChIInChI=1S/C40H25N5O2/c1-2-12-29-28(11-1)35(44-33-15-5-9-19-38(33)47-39-20-10-6-16-34(39)44)25-30-40(29)42-45(41-30)27-23-21-26(22-24-27)43-31-13-3-7-17-36(31)46-37-18-8-4-14-32(37)43/h1-25H
InChIKeyNAYKAVGLBKXVDD-UHFFFAOYSA-N
XLogP10.72
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.67
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
CID 118429761
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
CID 118429547
10-(4-fluorophenyl)phenoxazine
CID 141389969
ethane;10-phenylphenoxazine
CID 123756019
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
5-(2-benzo[e]benzotriazol-2-ylphenyl)-10-phenylphenazine
CID 118429493
10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine
CID 121245052
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
CID 129037655

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine (CID 118429616) is 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2nc3cc(N4c5ccccc5Oc5ccccc54)c4ccccc4c3n2)cc1.
What is the InChIKey of 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine?
The InChIKey is NAYKAVGLBKXVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O2/c1-2-12-29-28(11-1)35(44-33-15-5-9-19-38(33)47-39-20-10-6-16-34(39)44)25-30-40(29)42-45(41-30)27-23-21-26(22-24-27)43-31-13-3-7-17-36(31)46-37-18-8-4-14-32(37)43/h1-25H.
What are the key properties of 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine?
10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine has a molecular weight of 607.67 g/mol, XLogP of 10.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5-phenoxazin-10-ylbenzo[e]benzotriazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118429616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).