10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine

C66H42N6O2 — CID 129290634

IUPAC10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C66H42N6O2/c1-5-21-43(22-6-1)51-41-53(69-65(67-51)45-25-9-3-10-26-45)47-37-49-50(59(39-47)71-55-29-13-17-33-61(55)73-62-34-18-14-30-56(62)71)38-48(40-60(49)72-57-31-15-19-35-63(57)74-64-36-20-16-32-58(64)72)54-42-52(44-23-7-2-8-24-44)68-66(70-54)46-27-11-4-12-28-46/h1-42H
InChIKeyLGUMRUHOAHSBAK-UHFFFAOYSA-N
MW951.10 g/mol
LogP17.57
Rot. Bonds8

About 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine

10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine (PubChem CID 129290634) has the molecular formula C66H42N6O2 and a molecular weight of 951.10 g/mol. Its IUPAC name is 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
PubChem CID129290634
Molecular FormulaC66H42N6O2
Molecular Weight951.10 g/mol
Exact Mass950.34
IUPAC Name10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C66H42N6O2/c1-5-21-43(22-6-1)51-41-53(69-65(67-51)45-25-9-3-10-26-45)47-37-49-50(59(39-47)71-55-29-13-17-33-61(55)73-62-34-18-14-30-56(62)71)38-48(40-60(49)72-57-31-15-19-35-63(57)74-64-36-20-16-32-58(64)72)54-42-52(44-23-7-2-8-24-44)68-66(70-54)46-27-11-4-12-28-46/h1-42H
InChIKeyLGUMRUHOAHSBAK-UHFFFAOYSA-N
XLogP17.57
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.10
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine (CID 129290634) is 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine is c1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
The InChIKey is LGUMRUHOAHSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6O2/c1-5-21-43(22-6-1)51-41-53(69-65(67-51)45-25-9-3-10-26-45)47-37-49-50(59(39-47)71-55-29-13-17-33-61(55)73-62-34-18-14-30-56(62)71)38-48(40-60(49)72-57-31-15-19-35-63(57)74-64-36-20-16-32-58(64)72)54-42-52(44-23-7-2-8-24-44)68-66(70-54)46-27-11-4-12-28-46/h1-42H.
What are the key properties of 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine?
10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine has a molecular weight of 951.10 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).