10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine

C47H29N3O3 — CID 130354404

IUPAC10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
SMILESc1cc(-c2ccc3oc4ncc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4c3c2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C47H29N3O3/c1-5-19-43-38(15-1)49(39-16-2-6-20-44(39)51-43)34-13-9-11-30(25-34)32-23-24-42-36(27-32)37-28-33(29-48-47(37)53-42)31-12-10-14-35(26-31)50-40-17-3-7-21-45(40)52-46-22-8-4-18-41(46)50/h1-29H
InChIKeyOWZVNNQXXGDUKH-UHFFFAOYSA-N
MW683.77 g/mol
LogP13.47
Rot. Bonds4

About 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine

10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine (PubChem CID 130354404) has the molecular formula C47H29N3O3 and a molecular weight of 683.77 g/mol. Its IUPAC name is 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
PubChem CID130354404
Molecular FormulaC47H29N3O3
Molecular Weight683.77 g/mol
Exact Mass683.22
IUPAC Name10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
SMILESc1cc(-c2ccc3oc4ncc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4c3c2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C47H29N3O3/c1-5-19-43-38(15-1)49(39-16-2-6-20-44(39)51-43)34-13-9-11-30(25-34)32-23-24-42-36(27-32)37-28-33(29-48-47(37)53-42)31-12-10-14-35(26-31)50-40-17-3-7-21-45(40)52-46-22-8-4-18-41(46)50/h1-29H
InChIKeyOWZVNNQXXGDUKH-UHFFFAOYSA-N
XLogP13.47
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.77
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine with MolForge

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Related Compounds

10-(8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxazine
CID 130353987
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
3-([1]benzofuro[2,3-b]pyridin-3-yl)-N,N-diphenylaniline
CID 160692171
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
CID 134351385
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
CID 145009575
10-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenoxazine
CID 165060457
6-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 167645998

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine (CID 130354404) is 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine is c1cc(-c2ccc3oc4ncc(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)cc4c3c2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine?
The InChIKey is OWZVNNQXXGDUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O3/c1-5-19-43-38(15-1)49(39-16-2-6-20-44(39)51-43)34-13-9-11-30(25-34)32-23-24-42-36(27-32)37-28-33(29-48-47(37)53-42)31-12-10-14-35(26-31)50-40-17-3-7-21-45(40)52-46-22-8-4-18-41(46)50/h1-29H.
What are the key properties of 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine?
10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine has a molecular weight of 683.77 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 130354404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).