[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone

C59H42N2O3 — CID 157350494

IUPAC[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c(C(=O)c3ccc(C)cc3)cc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc2)cc1
InChIInChI=1S/C59H42N2O3/c1-38-19-23-42(24-20-38)58(62)50-37-49(41-29-33-47(34-30-41)61-54-15-7-9-17-56(54)64-57-18-10-8-16-55(57)61)51(59(63)43-25-21-39(2)22-26-43)36-48(50)40-27-31-46(32-28-40)60-52-13-5-3-11-44(52)35-45-12-4-6-14-53(45)60/h3-34,36-37H,35H2,1-2H3
InChIKeyUUIUGZKIIXFLNM-UHFFFAOYSA-N
MW827.00 g/mol
LogP15.05
Rot. Bonds8

About [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone

[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 157350494) has the molecular formula C59H42N2O3 and a molecular weight of 827.00 g/mol. Its IUPAC name is [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
PubChem CID157350494
Molecular FormulaC59H42N2O3
Molecular Weight827.00 g/mol
Exact Mass826.32
IUPAC Name[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c(C(=O)c3ccc(C)cc3)cc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc2)cc1
InChIInChI=1S/C59H42N2O3/c1-38-19-23-42(24-20-38)58(62)50-37-49(41-29-33-47(34-30-41)61-54-15-7-9-17-56(54)64-57-18-10-8-16-55(57)61)51(59(63)43-25-21-39(2)22-26-43)36-48(50)40-27-31-46(32-28-40)60-52-13-5-3-11-44(52)35-45-12-4-6-14-53(45)60/h3-34,36-37H,35H2,1-2H3
InChIKeyUUIUGZKIIXFLNM-UHFFFAOYSA-N
XLogP15.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.00
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 142369827
4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
CID 140898234
[4-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)phenyl]-[4-(4-phenoxazin-10-ylbenzoyl)phenyl]methanone
CID 134602796
1-(4-phenoxazin-10-ylphenyl)pentan-1-one
CID 140927761
(2-phenoxazin-10-ylphenyl)-phenylmethanone
CID 121420431
ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
CID 142381929
9-(3-carbazol-9-ylphenyl)carbazole;[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-(4-fluorophenyl)methanone;[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-(4-phenoxazin-10-ylphenyl)methanone;4-fluorobenzoyl chloride;9H-xanthene
CID 163891394
10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine
CID 129291758
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205

Frequently Asked Questions

What is the IUPAC name of [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone (CID 157350494) is [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c(C(=O)c3ccc(C)cc3)cc2-c2ccc(N3c4ccccc4Cc4ccccc43)cc2)cc1.
What is the InChIKey of [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is UUIUGZKIIXFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O3/c1-38-19-23-42(24-20-38)58(62)50-37-49(41-29-33-47(34-30-41)61-54-15-7-9-17-56(54)64-57-18-10-8-16-55(57)61)51(59(63)43-25-21-39(2)22-26-43)36-48(50)40-27-31-46(32-28-40)60-52-13-5-3-11-44(52)35-45-12-4-6-14-53(45)60/h3-34,36-37H,35H2,1-2H3.
What are the key properties of [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone?
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 827.00 g/mol, XLogP of 15.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 157350494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).