2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione

C38H24N2O3 — CID 130395524

IUPAC2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
SMILESO=C1c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(=O)N1c1cccc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C38H24N2O3/c41-37-31-23-29(25-12-3-1-4-13-25)30(26-14-5-2-6-15-26)24-32(31)38(42)40(37)28-17-11-16-27(22-28)39-33-18-7-9-20-35(33)43-36-21-10-8-19-34(36)39/h1-24H
InChIKeyKILNIWAEMVTGHC-UHFFFAOYSA-N
MW556.62 g/mol
LogP9.40
Rot. Bonds4

About 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione

2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione (PubChem CID 130395524) has the molecular formula C38H24N2O3 and a molecular weight of 556.62 g/mol. Its IUPAC name is 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
PubChem CID130395524
Molecular FormulaC38H24N2O3
Molecular Weight556.62 g/mol
Exact Mass556.18
IUPAC Name2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
SMILESO=C1c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(=O)N1c1cccc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C38H24N2O3/c41-37-31-23-29(25-12-3-1-4-13-25)30(26-14-5-2-6-15-26)24-32(31)38(42)40(37)28-17-11-16-27(22-28)39-33-18-7-9-20-35(33)43-36-21-10-8-19-34(36)39/h1-24H
InChIKeyKILNIWAEMVTGHC-UHFFFAOYSA-N
XLogP9.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.62
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
ethane;10-phenylphenoxazine
CID 123756019
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione
CID 122435728
10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
CID 139312569

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione?
The IUPAC name of 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione (CID 130395524) is 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione.
What is the SMILES notation for 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione?
The canonical SMILES for 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione is O=C1c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(=O)N1c1cccc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione?
The InChIKey is KILNIWAEMVTGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O3/c41-37-31-23-29(25-12-3-1-4-13-25)30(26-14-5-2-6-15-26)24-32(31)38(42)40(37)28-17-11-16-27(22-28)39-33-18-7-9-20-35(33)43-36-21-10-8-19-34(36)39/h1-24H.
What are the key properties of 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione?
2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione has a molecular weight of 556.62 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione is sourced from PubChem (CID 130395524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).