10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

C38H24N4O3 — CID 102430157

IUPAC10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C38H24N4O3/c1-5-13-33-29(9-1)41(30-10-2-6-14-34(30)43-33)27-21-17-25(18-22-27)37-39-40-38(45-37)26-19-23-28(24-20-26)42-31-11-3-7-15-35(31)44-36-16-8-4-12-32(36)42/h1-24H
InChIKeyGMYCTLAMROUHJF-UHFFFAOYSA-N
MW584.64 g/mol
LogP10.55
Rot. Bonds4

About 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (PubChem CID 102430157) has the molecular formula C38H24N4O3 and a molecular weight of 584.64 g/mol. Its IUPAC name is 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
PubChem CID102430157
Molecular FormulaC38H24N4O3
Molecular Weight584.64 g/mol
Exact Mass584.18
IUPAC Name10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C38H24N4O3/c1-5-13-33-29(9-1)41(30-10-2-6-14-34(30)43-33)27-21-17-25(18-22-27)37-39-40-38(45-37)26-19-23-28(24-20-26)42-31-11-3-7-15-35(31)44-36-16-8-4-12-32(36)42/h1-24H
InChIKeyGMYCTLAMROUHJF-UHFFFAOYSA-N
XLogP10.55
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 145969739
2-phenoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1340476
Chloroform;10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 168338716
1-(7-Fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 126784950
[4-[N-(4-ethoxyphenyl)-4-[5-[4-(4-ethoxy-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]-1,3,4-oxadiazol-2-yl]anilino]phenyl] prop-2-enoate
CID 22089898
2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine
CID 22964622
4-[4-(diisocyanomethylidene)-2,3-dihydrochromen-2-yl]-N-phenyl-N-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]hexan-2-yl]phenyl]aniline
CID 23558258
(2E)-2-isocyano-2-[2-[4-(N-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]hexan-2-yl]phenyl]anilino)phenyl]chromen-4-ylidene]acetonitrile
CID 57591858
4-N-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58903601
4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58903673
(2E)-2-isocyano-2-[2-[4-(N-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]hexan-2-yl]phenyl]anilino)phenyl]-2,3-dihydrochromen-4-ylidene]acetonitrile
CID 59081647
10-[4-[2-[2-[4-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine
CID 59228459

Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (CID 102430157) is 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)o2)cc1.
What is the InChIKey of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The InChIKey is GMYCTLAMROUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O3/c1-5-13-33-29(9-1)41(30-10-2-6-14-34(30)43-33)27-21-17-25(18-22-27)37-39-40-38(45-37)26-19-23-28(24-20-26)42-31-11-3-7-15-35(31)44-36-16-8-4-12-32(36)42/h1-24H.
What are the key properties of 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine has a molecular weight of 584.64 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 102430157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).