10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine

C60H38N8O2 — CID 129148075

IUPAC10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5nc6cnccc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3cnccc32)cc1
InChIInChI=1S/C60H38N8O2/c1-3-15-43(16-4-1)67-49-27-29-61-37-47(49)63-59(67)41-31-39(33-45(35-41)65-51-19-7-11-23-55(51)69-56-24-12-8-20-52(56)65)40-32-42(60-64-48-38-62-30-28-50(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-53-21-9-13-25-57(53)70-58-26-14-10-22-54(58)66/h1-38H
InChIKeyGSBYCPACLDPYKB-UHFFFAOYSA-N
MW903.02 g/mol
LogP15.31
Rot. Bonds7

About 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine

10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148075) has the molecular formula C60H38N8O2 and a molecular weight of 903.02 g/mol. Its IUPAC name is 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148075
Molecular FormulaC60H38N8O2
Molecular Weight903.02 g/mol
Exact Mass902.31
IUPAC Name10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5nc6cnccc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3cnccc32)cc1
InChIInChI=1S/C60H38N8O2/c1-3-15-43(16-4-1)67-49-27-29-61-37-47(49)63-59(67)41-31-39(33-45(35-41)65-51-19-7-11-23-55(51)69-56-24-12-8-20-52(56)65)40-32-42(60-64-48-38-62-30-28-50(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-53-21-9-13-25-57(53)70-58-26-14-10-22-54(58)66/h1-38H
InChIKeyGSBYCPACLDPYKB-UHFFFAOYSA-N
XLogP15.31
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.02
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine with MolForge

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Related Compounds

6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
1-Methyl-3-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707957
1-Methyl-3-[4-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707961
US10112944, Example 15
CID 122540236
US10112944, Example 19
CID 122540243
2-(2-{3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-phenoxymethyl]-phenyl}-vinyl)-quinoline
CID 44278454
7-[5-[[6-(Azetidin-1-yl)-1,5-naphthyridin-3-yl]oxymethyl]-3-pyridinyl]-5-(oxolan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304066
US20230348462, Example 4
CID 163286288
10-[2,3-Bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine
CID 134578894

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (CID 129148075) is 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(-c4cc(-c5nc6cnccc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3cnccc32)cc1.
What is the InChIKey of 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is GSBYCPACLDPYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8O2/c1-3-15-43(16-4-1)67-49-27-29-61-37-47(49)63-59(67)41-31-39(33-45(35-41)65-51-19-7-11-23-55(51)69-56-24-12-8-20-52(56)65)40-32-42(60-64-48-38-62-30-28-50(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-53-21-9-13-25-57(53)70-58-26-14-10-22-54(58)66/h1-38H.
What are the key properties of 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 903.02 g/mol, XLogP of 15.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).