10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine

C38H25NO3S — CID 145009259

IUPAC10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2c3ccccc3c(N3c4ccccc4Oc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C38H25NO3S/c40-43(41,27-12-2-1-3-13-27)28-24-22-26(23-25-28)37-29-14-4-6-16-31(29)38(32-17-7-5-15-30(32)37)39-33-18-8-10-20-35(33)42-36-21-11-9-19-34(36)39/h1-25H
InChIKeyNPUGGAJYPAXAAK-UHFFFAOYSA-N
MW575.69 g/mol
LogP10.07
Rot. Bonds4

About 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine

10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine (PubChem CID 145009259) has the molecular formula C38H25NO3S and a molecular weight of 575.69 g/mol. Its IUPAC name is 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine.

Molecular Properties

Compound Name10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine
PubChem CID145009259
Molecular FormulaC38H25NO3S
Molecular Weight575.69 g/mol
Exact Mass575.16
IUPAC Name10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2c3ccccc3c(N3c4ccccc4Oc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C38H25NO3S/c40-43(41,27-12-2-1-3-13-27)28-24-22-26(23-25-28)37-29-14-4-6-16-31(29)38(32-17-7-5-15-30(32)37)39-33-18-8-10-20-35(33)42-36-21-11-9-19-34(36)39/h1-25H
InChIKeyNPUGGAJYPAXAAK-UHFFFAOYSA-N
XLogP10.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.69
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
CID 122659967
10-[4-(4-iodophenyl)sulfonylphenyl]phenoxazine
CID 141411363
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
1-bromo-10-naphthalen-1-ylphenoxazine
CID 135279894
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
3-[10-[10-(6-heptoxynaphthalen-2-yl)anthracen-9-yl]phenoxazin-3-yl]-10-[10-(6-hexoxynaphthalen-2-yl)anthracen-9-yl]phenoxazine
CID 58676162
8-[4-(benzenesulfonyl)phenyl]-14,14-diethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 130265476
bis(4-carbazol-9-ylphenyl)methanone;bis[4-(9,9-dimethylacridin-10-yl)phenyl]methanone;bis(4-phenoxazin-10-ylphenyl)methanone;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]sulfonylphenyl]aniline
CID 160976992
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559

Frequently Asked Questions

What is the IUPAC name of 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine?
The IUPAC name of 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine (CID 145009259) is 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine.
What is the SMILES notation for 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine?
The canonical SMILES for 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine is O=S(=O)(c1ccccc1)c1ccc(-c2c3ccccc3c(N3c4ccccc4Oc4ccccc43)c3ccccc23)cc1.
What is the InChIKey of 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine?
The InChIKey is NPUGGAJYPAXAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO3S/c40-43(41,27-12-2-1-3-13-27)28-24-22-26(23-25-28)37-29-14-4-6-16-31(29)38(32-17-7-5-15-30(32)37)39-33-18-8-10-20-35(33)42-36-21-11-9-19-34(36)39/h1-25H.
What are the key properties of 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine?
10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine has a molecular weight of 575.69 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-[4-(benzenesulfonyl)phenyl]anthracen-9-yl]phenoxazine is sourced from PubChem (CID 145009259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).