10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine

C42H30NOPS — CID 139305599

IUPAC10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine
SMILESc1ccc(S2(c3ccccc3)c3ccccc3P(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3ccccc32)cc1
InChIInChI=1S/C42H30NOPS/c1-3-15-33(16-4-1)46(34-17-5-2-6-18-34)41-25-13-11-23-39(41)45(40-24-12-14-26-42(40)46)32-29-27-31(28-30-32)43-35-19-7-9-21-37(35)44-38-22-10-8-20-36(38)43/h1-30H
InChIKeyFTMOAFTYDBYGMH-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.67
Rot. Bonds4

About 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine

10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine (PubChem CID 139305599) has the molecular formula C42H30NOPS and a molecular weight of 627.75 g/mol. Its IUPAC name is 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine
PubChem CID139305599
Molecular FormulaC42H30NOPS
Molecular Weight627.75 g/mol
Exact Mass627.18
IUPAC Name10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine
SMILESc1ccc(S2(c3ccccc3)c3ccccc3P(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3ccccc32)cc1
InChIInChI=1S/C42H30NOPS/c1-3-15-33(16-4-1)46(34-17-5-2-6-18-34)41-25-13-11-23-39(41)45(40-24-12-14-26-42(40)46)32-29-27-31(28-30-32)43-35-19-7-9-21-37(35)44-38-22-10-8-20-36(38)43/h1-30H
InChIKeyFTMOAFTYDBYGMH-UHFFFAOYSA-N
XLogP10.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine
CID 146561088
1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine
CID 170220363
10-(4-fluorophenyl)phenoxazine
CID 141389969
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 134317568
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
4-N-(4-phenoxazin-10-ylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163598234
N,10-diphenylphenoxazin-2-amine
CID 155429744
9-(10,10-diphenylphenoxathiin-3-yl)carbazole
CID 138482274
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
CID 129037655
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine (CID 139305599) is 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine is c1ccc(S2(c3ccccc3)c3ccccc3P(c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3ccccc32)cc1.
What is the InChIKey of 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine?
The InChIKey is FTMOAFTYDBYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30NOPS/c1-3-15-33(16-4-1)46(34-17-5-2-6-18-34)41-25-13-11-23-39(41)45(40-24-12-14-26-42(40)46)32-29-27-31(28-30-32)43-35-19-7-9-21-37(35)44-38-22-10-8-20-36(38)43/h1-30H.
What are the key properties of 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine?
10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine has a molecular weight of 627.75 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 139305599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).