10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine

C53H30N2O3 — CID 154600142

IUPAC10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2cc4c5ccccc5c5ccccc5c4cc23)c1
InChIInChI=1S/C53H30N2O3/c1-3-13-36-34(11-1)35-12-2-4-14-37(35)42-30-53-43(29-41(36)42)40-24-22-32(26-52(40)58-53)45-28-33(55-46-16-6-9-19-49(46)57-50-20-10-7-17-47(50)55)27-44(54-45)31-21-23-39-38-15-5-8-18-48(38)56-51(39)25-31/h1-30H
InChIKeyBPHPOAUIXCZLOQ-UHFFFAOYSA-N
MW742.83 g/mol
LogP15.25
Rot. Bonds3

About 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine

10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine (PubChem CID 154600142) has the molecular formula C53H30N2O3 and a molecular weight of 742.83 g/mol. Its IUPAC name is 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine
PubChem CID154600142
Molecular FormulaC53H30N2O3
Molecular Weight742.83 g/mol
Exact Mass742.23
IUPAC Name10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2cc4c5ccccc5c5ccccc5c4cc23)c1
InChIInChI=1S/C53H30N2O3/c1-3-13-36-34(11-1)35-12-2-4-14-37(35)42-30-53-43(29-41(36)42)40-24-22-32(26-52(40)58-53)45-28-33(55-46-16-6-9-19-49(46)57-50-20-10-7-17-47(50)55)27-44(54-45)31-21-23-39-38-15-5-8-18-48(38)56-51(39)25-31/h1-30H
InChIKeyBPHPOAUIXCZLOQ-UHFFFAOYSA-N
XLogP15.25
TPSA51.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.83
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine with MolForge

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Related Compounds

2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
CID 126612202
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
CID 145009575
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-2,6-diphenylpyrimidine
CID 153121371
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277
14-[7-(10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21-phenyl-14-[6-(21-phenyl-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)pyren-1-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 161443856
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
CID 164811782
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 167567887
8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
CID 121242285
2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
CID 167665630
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-2,6-diphenylpyrimidine
CID 154600192
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197

Frequently Asked Questions

What is the IUPAC name of 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine?
The IUPAC name of 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine (CID 154600142) is 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine?
The canonical SMILES for 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)oc2cc4c5ccccc5c5ccccc5c4cc23)c1.
What is the InChIKey of 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine?
The InChIKey is BPHPOAUIXCZLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N2O3/c1-3-13-36-34(11-1)35-12-2-4-14-37(35)42-30-53-43(29-41(36)42)40-24-22-32(26-52(40)58-53)45-28-33(55-46-16-6-9-19-49(46)57-50-20-10-7-17-47(50)55)27-44(54-45)31-21-23-39-38-15-5-8-18-48(38)56-51(39)25-31/h1-30H.
What are the key properties of 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine?
10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine has a molecular weight of 742.83 g/mol, XLogP of 15.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine is sourced from PubChem (CID 154600142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).