10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine

C62H38N10O2 — CID 129290650

IUPAC10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C62H38N10O2/c1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(48-35-47(39-15-13-27-63-37-39)68-62(69-48)46-18-10-12-30-66-46)31-43-44(55)32-42(34-56(43)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)49-36-50(45-17-9-11-29-65-45)70-61(67-49)40-16-14-28-64-38-40/h1-38H
InChIKeyFNPZDZVTLCZYAY-UHFFFAOYSA-N
MW955.05 g/mol
LogP15.15
Rot. Bonds8

About 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine

10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290650) has the molecular formula C62H38N10O2 and a molecular weight of 955.05 g/mol. Its IUPAC name is 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
PubChem CID129290650
Molecular FormulaC62H38N10O2
Molecular Weight955.05 g/mol
Exact Mass954.32
IUPAC Name10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C62H38N10O2/c1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(48-35-47(39-15-13-27-63-37-39)68-62(69-48)46-18-10-12-30-66-46)31-43-44(55)32-42(34-56(43)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)49-36-50(45-17-9-11-29-65-45)70-61(67-49)40-16-14-28-64-38-40/h1-38H
InChIKeyFNPZDZVTLCZYAY-UHFFFAOYSA-N
XLogP15.15
TPSA128.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.05
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Launch Full Analysis

Related Compounds

10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290700
10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 158333757
10-[5,7-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenoxazin-10-ylnaphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine;10-[3-phenoxazin-10-yl-5,7-bis(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 157390040
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylacridine;5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[5-phenothiazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenothiazine;10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine
CID 161103090
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
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-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;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 161045076
10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
CID 159871347
10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenothiazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290721
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291643
5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 129291637
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793866

Frequently Asked Questions

What is the IUPAC name of 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine (CID 129290650) is 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2cc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)nc(-c3cccnc3)n2)nc1.
What is the InChIKey of 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is FNPZDZVTLCZYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N10O2/c1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(48-35-47(39-15-13-27-63-37-39)68-62(69-48)46-18-10-12-30-66-46)31-43-44(55)32-42(34-56(43)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)49-36-50(45-17-9-11-29-65-45)70-61(67-49)40-16-14-28-64-38-40/h1-38H.
What are the key properties of 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 955.05 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).