10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine

C53H33N3O2 — CID 59183813

IUPAC10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c5c4cnc4ccccc45)cc32)cc1
InChIInChI=1S/C53H33N3O2/c1-3-15-36(16-4-1)55-43-23-11-13-25-47(43)57-49-29-27-34(31-45(49)55)51-38-19-7-8-20-39(38)52(53-40-21-9-10-22-42(40)54-33-41(51)53)35-28-30-50-46(32-35)56(37-17-5-2-6-18-37)44-24-12-14-26-48(44)58-50/h1-33H
InChIKeyGCAPSTSHCWRKAY-UHFFFAOYSA-N
MW743.87 g/mol
LogP15.03
Rot. Bonds4

About 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine

10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine (PubChem CID 59183813) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine
PubChem CID59183813
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC Name10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c5c4cnc4ccccc45)cc32)cc1
InChIInChI=1S/C53H33N3O2/c1-3-15-36(16-4-1)55-43-23-11-13-25-47(43)57-49-29-27-34(31-45(49)55)51-38-19-7-8-20-39(38)52(53-40-21-9-10-22-42(40)54-33-41(51)53)35-28-30-50-46(32-35)56(37-17-5-2-6-18-37)44-24-12-14-26-48(44)58-50/h1-33H
InChIKeyGCAPSTSHCWRKAY-UHFFFAOYSA-N
XLogP15.03
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-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-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine?
The IUPAC name of 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine (CID 59183813) is 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine?
The canonical SMILES for 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine is c1ccc(N2c3ccccc3Oc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c5c4cnc4ccccc45)cc32)cc1.
What is the InChIKey of 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine?
The InChIKey is GCAPSTSHCWRKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-3-15-36(16-4-1)55-43-23-11-13-25-47(43)57-49-29-27-34(31-45(49)55)51-38-19-7-8-20-39(38)52(53-40-21-9-10-22-42(40)54-33-41(51)53)35-28-30-50-46(32-35)56(37-17-5-2-6-18-37)44-24-12-14-26-48(44)58-50/h1-33H.
What are the key properties of 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine?
10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine has a molecular weight of 743.87 g/mol, XLogP of 15.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[7-(10-phenylphenoxazin-2-yl)benzo[j]phenanthridin-12-yl]phenoxazine is sourced from PubChem (CID 59183813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).