10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine

C73H48N4O4 — CID 22967534

IUPAC10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(C(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C73H48N4O4/c1-9-25-65-57(17-1)74(58-18-2-10-26-66(58)78-65)53-41-33-49(34-42-53)73(50-35-43-54(44-36-50)75-59-19-3-11-27-67(59)79-68-28-12-4-20-60(68)75,51-37-45-55(46-38-51)76-61-21-5-13-29-69(61)80-70-30-14-6-22-62(70)76)52-39-47-56(48-40-52)77-63-23-7-15-31-71(63)81-72-32-16-8-24-64(72)77/h1-48H
InChIKeyHVVDFPQLEMJBGM-UHFFFAOYSA-N
MW1045.21 g/mol
LogP20.37
Rot. Bonds8

About 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine

10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine (PubChem CID 22967534) has the molecular formula C73H48N4O4 and a molecular weight of 1045.21 g/mol. Its IUPAC name is 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine
PubChem CID22967534
Molecular FormulaC73H48N4O4
Molecular Weight1045.21 g/mol
Exact Mass1044.37
IUPAC Name10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(C(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C73H48N4O4/c1-9-25-65-57(17-1)74(58-18-2-10-26-66(58)78-65)53-41-33-49(34-42-53)73(50-35-43-54(44-36-50)75-59-19-3-11-27-67(59)79-68-28-12-4-20-60(68)75,51-37-45-55(46-38-51)76-61-21-5-13-29-69(61)80-70-30-14-6-22-62(70)76)52-39-47-56(48-40-52)77-63-23-7-15-31-71(63)81-72-32-16-8-24-64(72)77/h1-48H
InChIKeyHVVDFPQLEMJBGM-UHFFFAOYSA-N
XLogP20.37
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.21
LogP ≤ 520.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine (CID 22967534) is 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(C(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine?
The InChIKey is HVVDFPQLEMJBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N4O4/c1-9-25-65-57(17-1)74(58-18-2-10-26-66(58)78-65)53-41-33-49(34-42-53)73(50-35-43-54(44-36-50)75-59-19-3-11-27-67(59)79-68-28-12-4-20-60(68)75,51-37-45-55(46-38-51)76-61-21-5-13-29-69(61)80-70-30-14-6-22-62(70)76)52-39-47-56(48-40-52)77-63-23-7-15-31-71(63)81-72-32-16-8-24-64(72)77/h1-48H.
What are the key properties of 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine?
10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine has a molecular weight of 1045.21 g/mol, XLogP of 20.37, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[tris(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine is sourced from PubChem (CID 22967534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).