10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine

C65H42N10O — CID 129291758

IUPAC10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Cc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C65H42N10O/c1-3-21-58-42(15-1)35-43-16-2-4-22-59(43)74(58)46-27-29-48(50(36-46)64-70-54(44-17-13-31-66-40-44)38-56(72-64)52-19-9-11-33-68-52)49-30-28-47(75-60-23-5-7-25-62(60)76-63-26-8-6-24-61(63)75)37-51(49)65-71-55(45-18-14-32-67-41-45)39-57(73-65)53-20-10-12-34-69-53/h1-34,36-41H,35H2
InChIKeyTWUYDOXLSHUJPK-UHFFFAOYSA-N
MW979.12 g/mol
LogP15.47
Rot. Bonds9

About 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine

10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine (PubChem CID 129291758) has the molecular formula C65H42N10O and a molecular weight of 979.12 g/mol. Its IUPAC name is 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine
PubChem CID129291758
Molecular FormulaC65H42N10O
Molecular Weight979.12 g/mol
Exact Mass978.35
IUPAC Name10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Cc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C65H42N10O/c1-3-21-58-42(15-1)35-43-16-2-4-22-59(43)74(58)46-27-29-48(50(36-46)64-70-54(44-17-13-31-66-40-44)38-56(72-64)52-19-9-11-33-68-52)49-30-28-47(75-60-23-5-7-25-62(60)76-63-26-8-6-24-61(63)75)37-51(49)65-71-55(45-18-14-32-67-41-45)39-57(73-65)53-20-10-12-34-69-53/h1-34,36-41H,35H2
InChIKeyTWUYDOXLSHUJPK-UHFFFAOYSA-N
XLogP15.47
TPSA118.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.12
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine (CID 129291758) is 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine is c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Cc5ccccc54)ccc3-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine?
The InChIKey is TWUYDOXLSHUJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N10O/c1-3-21-58-42(15-1)35-43-16-2-4-22-59(43)74(58)46-27-29-48(50(36-46)64-70-54(44-17-13-31-66-40-44)38-56(72-64)52-19-9-11-33-68-52)49-30-28-47(75-60-23-5-7-25-62(60)76-63-26-8-6-24-61(63)75)37-51(49)65-71-55(45-18-14-32-67-41-45)39-57(73-65)53-20-10-12-34-69-53/h1-34,36-41H,35H2.
What are the key properties of 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine?
10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine has a molecular weight of 979.12 g/mol, XLogP of 15.47, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129291758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).