7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine

C60H36N2O2 — CID 155791009

IUPAC7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)N(c3ccc5c(ccc6ccccc65)c3)c3ccc5ccccc5c3O4)ccc1N2c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C60H36N2O2/c1-3-13-44-37(11-1)21-22-41-33-42(26-28-45(41)44)62-55-31-23-38-12-2-4-14-46(38)60(55)64-58-32-25-39(34-56(58)62)40-24-30-54-59(35-40)63-57-20-10-9-19-53(57)61(54)43-27-29-51-49-17-6-5-15-47(49)48-16-7-8-18-50(48)52(51)36-43/h1-36H
InChIKeyNGDKOJLFBWUZRE-UHFFFAOYSA-N
MW816.96 g/mol
LogP17.42
Rot. Bonds3

About 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine

7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine (PubChem CID 155791009) has the molecular formula C60H36N2O2 and a molecular weight of 816.96 g/mol. Its IUPAC name is 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine.

Molecular Properties

Compound Name7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine
PubChem CID155791009
Molecular FormulaC60H36N2O2
Molecular Weight816.96 g/mol
Exact Mass816.28
IUPAC Name7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)N(c3ccc5c(ccc6ccccc65)c3)c3ccc5ccccc5c3O4)ccc1N2c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C60H36N2O2/c1-3-13-44-37(11-1)21-22-41-33-42(26-28-45(41)44)62-55-31-23-38-12-2-4-14-46(38)60(55)64-58-32-25-39(34-56(58)62)40-24-30-54-59(35-40)63-57-20-10-9-19-53(57)61(54)43-27-29-51-49-17-6-5-15-47(49)48-16-7-8-18-50(48)52(51)36-43/h1-36H
InChIKeyNGDKOJLFBWUZRE-UHFFFAOYSA-N
XLogP17.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]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

2-(12,12-dimethyl-5-phenylbenzo[b]acridin-2-yl)-12-phenanthren-2-ylbenzo[b]phenoxazine
CID 155791112
7-(4-phenylphenyl)-10-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]benzo[c]phenoxazine
CID 155791171
9-(12,12-dimethyl-7-phenylbenzo[a]acridin-9-yl)-7-phenylbenzo[c]phenoxazine
CID 155791211
3-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)-12-(4-triphenylen-2-ylphenyl)benzo[b]phenoxazine
CID 155791213
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
7-(9,9-dimethylfluoren-3-yl)-10-(9,9-diphenylfluoren-3-yl)benzo[c]phenoxazine
CID 155791237
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
10-bromo-7,9-diphenylbenzo[c]phenoxazine
CID 154697313
8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
CID 121242285

Frequently Asked Questions

What is the IUPAC name of 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine?
The IUPAC name of 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine (CID 155791009) is 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine.
What is the SMILES notation for 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine?
The canonical SMILES for 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine is c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)N(c3ccc5c(ccc6ccccc65)c3)c3ccc5ccccc5c3O4)ccc1N2c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine?
The InChIKey is NGDKOJLFBWUZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2/c1-3-13-44-37(11-1)21-22-41-33-42(26-28-45(41)44)62-55-31-23-38-12-2-4-14-46(38)60(55)64-58-32-25-39(34-56(58)62)40-24-30-54-59(35-40)63-57-20-10-9-19-53(57)61(54)43-27-29-51-49-17-6-5-15-47(49)48-16-7-8-18-50(48)52(51)36-43/h1-36H.
What are the key properties of 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine?
7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine has a molecular weight of 816.96 g/mol, XLogP of 17.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenanthren-2-yl-9-(10-triphenylen-2-ylphenoxazin-3-yl)benzo[c]phenoxazine is sourced from PubChem (CID 155791009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).