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

C62H38N10O2 — CID 129290706

IUPAC10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/C62H38N10O2/c1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(51-36-49(40-16-14-28-64-38-40)68-62(70-51)47-18-10-12-30-66-47)31-41(50-35-48(39-15-13-27-63-37-39)67-61(69-50)46-17-9-11-29-65-46)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72/h1-38H
InChIKeyZCPRRTSJUXMPJQ-UHFFFAOYSA-N
MW955.05 g/mol
LogP15.15
Rot. Bonds8

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

10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290706) has the molecular formula C62H38N10O2 and a molecular weight of 955.05 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
PubChem CID129290706
Molecular FormulaC62H38N10O2
Molecular Weight955.05 g/mol
Exact Mass954.32
IUPAC Name10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1
InChIInChI=1S/C62H38N10O2/c1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(51-36-49(40-16-14-28-64-38-40)68-62(70-51)47-18-10-12-30-66-47)31-41(50-35-48(39-15-13-27-63-37-39)67-61(69-50)46-17-9-11-29-65-46)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72/h1-38H
InChIKeyZCPRRTSJUXMPJQ-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

Analyze 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514640
4-(3-methyl-2-(2-pyridinyl)-1,8-naphthyridin-4-yl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 67285250
2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 172463186
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-2-amine
CID 163290936
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290990
2-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 172441190
2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 172465769
2-[4-[2-(4-Fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
CID 24733435
4-(3-Pyridinyloxy)-1'-(4,6,7-trimethyl-2-quinazolinyl)-1,4'-bipiperidine
CID 42171485
6-(9,9-Dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile
CID 144946714
2-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-quinolin-5-ylpyrimidine-2,4-diamine;ethane;2-N-[4-[2-(ethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145480004
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625

Frequently Asked Questions

What is the IUPAC name of 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine (CID 129290706) is 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)nc(-c5ccccn5)n4)c4cc(N5c6ccccc6Oc6ccccc65)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.
What is the InChIKey of 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is ZCPRRTSJUXMPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N10O2/c1-5-23-57-52(19-1)71(53-20-2-6-24-58(53)73-57)42-33-43-44(51-36-49(40-16-14-28-64-38-40)68-62(70-51)47-18-10-12-30-66-47)31-41(50-35-48(39-15-13-27-63-37-39)67-61(69-50)46-17-9-11-29-65-46)32-45(43)56(34-42)72-54-21-3-7-25-59(54)74-60-26-8-4-22-55(60)72/h1-38H.
What are the key properties of 10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine?
10-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-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-[3-phenoxazin-10-yl-5,7-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).