10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine

C78H46N2O2 — CID 89110985

IUPAC10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine
SMILESC1=CC2=C(CC1)Oc1ccccc1N2c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1
InChIInChI=1S/C78H46N2O2/c1-5-31-69-65(27-1)79(66-28-2-6-32-70(66)81-69)47-35-37-61-63(43-47)77(59-41-39-57-51-21-11-17-45-15-9-19-49(73(45)51)53-23-13-25-55(59)75(53)57)62-38-36-48(80-67-29-3-7-33-71(67)82-72-34-8-4-30-68(72)80)44-64(62)78(61)60-42-40-58-52-22-12-18-46-16-10-20-50(74(46)52)54-24-14-26-56(60)76(54)58/h1-7,9-33,35-44H,8,34H2
InChIKeyLMXDFNJWGXDSCZ-UHFFFAOYSA-N
MW1043.24 g/mol
LogP22.10
Rot. Bonds4

About 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine

10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine (PubChem CID 89110985) has the molecular formula C78H46N2O2 and a molecular weight of 1043.24 g/mol. Its IUPAC name is 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine
PubChem CID89110985
Molecular FormulaC78H46N2O2
Molecular Weight1043.24 g/mol
Exact Mass1042.36
IUPAC Name10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine
SMILESC1=CC2=C(CC1)Oc1ccccc1N2c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1
InChIInChI=1S/C78H46N2O2/c1-5-31-69-65(27-1)79(66-28-2-6-32-70(66)81-69)47-35-37-61-63(43-47)77(59-41-39-57-51-21-11-17-45-15-9-19-49(73(45)51)53-23-13-25-55(59)75(53)57)62-38-36-48(80-67-29-3-7-33-71(67)82-72-34-8-4-30-68(72)80)44-64(62)78(61)60-42-40-58-52-22-12-18-46-16-10-20-50(74(46)52)54-24-14-26-56(60)76(54)58/h1-7,9-33,35-44H,8,34H2
InChIKeyLMXDFNJWGXDSCZ-UHFFFAOYSA-N
XLogP22.10
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.24
LogP ≤ 522.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(3-methylphenyl)-3,4-dihydrophenoxazine
CID 145413862
10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]
CID 89110991
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
11-[9-naphthalen-1-yl-10-phenyl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6,7,8-tetrahydrobenzo[b][1]benzazepine
CID 89111273
10-[9-(9,9-dimethylfluoren-2-yl)-6-phenothiazin-10-yl-10-pyridin-2-ylanthracen-2-yl]-3,4-dihydrophenoxazine
CID 89111120
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
CID 89111126
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982

Frequently Asked Questions

What is the IUPAC name of 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine?
The IUPAC name of 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine (CID 89110985) is 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine is C1=CC2=C(CC1)Oc1ccccc1N2c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1.
What is the InChIKey of 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine?
The InChIKey is LMXDFNJWGXDSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N2O2/c1-5-31-69-65(27-1)79(66-28-2-6-32-70(66)81-69)47-35-37-61-63(43-47)77(59-41-39-57-51-21-11-17-45-15-9-19-49(73(45)51)53-23-13-25-55(59)75(53)57)62-38-36-48(80-67-29-3-7-33-71(67)82-72-34-8-4-30-68(72)80)44-64(62)78(61)60-42-40-58-52-22-12-18-46-16-10-20-50(74(46)52)54-24-14-26-56(60)76(54)58/h1-7,9-33,35-44H,8,34H2.
What are the key properties of 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine?
10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine has a molecular weight of 1043.24 g/mol, XLogP of 22.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 89110985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).