10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine

C60H38N4O2 — CID 89111369

IUPAC10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine
SMILESC1=CC2=C(CC1)N(c1ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c(-c4ccc5ccc6cccnc6c5n4)c3c1)c1ccccc1O2
InChIInChI=1S/C60H38N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-5,7-17,19-36H,6,18H2
InChIKeyNJDCLMWYECNQOK-UHFFFAOYSA-N
MW846.99 g/mol
LogP16.24
Rot. Bonds4

About 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine

10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine (PubChem CID 89111369) has the molecular formula C60H38N4O2 and a molecular weight of 846.99 g/mol. Its IUPAC name is 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine
PubChem CID89111369
Molecular FormulaC60H38N4O2
Molecular Weight846.99 g/mol
Exact Mass846.30
IUPAC Name10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine
SMILESC1=CC2=C(CC1)N(c1ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c(-c4ccc5ccc6cccnc6c5n4)c3c1)c1ccccc1O2
InChIInChI=1S/C60H38N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-5,7-17,19-36H,6,18H2
InChIKeyNJDCLMWYECNQOK-UHFFFAOYSA-N
XLogP16.24
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.99
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine?
The IUPAC name of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine (CID 89111369) is 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine is C1=CC2=C(CC1)N(c1ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c(-c4ccc5ccc6cccnc6c5n4)c3c1)c1ccccc1O2.
What is the InChIKey of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine?
The InChIKey is NJDCLMWYECNQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O2/c1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-5,7-17,19-36H,6,18H2.
What are the key properties of 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine?
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine has a molecular weight of 846.99 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(1,2-dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 89111369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).