10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine

C66H48N2OS — CID 134440418

IUPAC10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(N3c4ccccc4C4(CCC(c5ccc(-c6ccc(N7c8ccccc8Oc8ccccc87)cc6)cc5)CC4)c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C66H48N2OS/c1-2-12-44(13-3-1)47-26-32-52(33-27-47)67-58-16-6-5-15-56(58)66(57-43-51(30-36-59(57)67)50-31-37-65-55(42-50)54-14-4-11-21-64(54)70-65)40-38-49(39-41-66)46-24-22-45(23-25-46)48-28-34-53(35-29-48)68-60-17-7-9-19-62(60)69-63-20-10-8-18-61(63)68/h1-37,42-43,49H,38-41H2
InChIKeyCKNPCHKYCFCJTC-UHFFFAOYSA-N
MW917.19 g/mol
LogP19.06
Rot. Bonds6

About 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine

10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine (PubChem CID 134440418) has the molecular formula C66H48N2OS and a molecular weight of 917.19 g/mol. Its IUPAC name is 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine
PubChem CID134440418
Molecular FormulaC66H48N2OS
Molecular Weight917.19 g/mol
Exact Mass916.35
IUPAC Name10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine
SMILESc1ccc(-c2ccc(N3c4ccccc4C4(CCC(c5ccc(-c6ccc(N7c8ccccc8Oc8ccccc87)cc6)cc5)CC4)c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C66H48N2OS/c1-2-12-44(13-3-1)47-26-32-52(33-27-47)67-58-16-6-5-15-56(58)66(57-43-51(30-36-59(57)67)50-31-37-65-55(42-50)54-14-4-11-21-64(54)70-65)40-38-49(39-41-66)46-24-22-45(23-25-46)48-28-34-53(35-29-48)68-60-17-7-9-19-62(60)69-63-20-10-8-18-61(63)68/h1-37,42-43,49H,38-41H2
InChIKeyCKNPCHKYCFCJTC-UHFFFAOYSA-N
XLogP19.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.19
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine
CID 160540882
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
10-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-9,10-diphenylanthracen-2-yl]phenoxazine
CID 146213013
2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
CID 155791078
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
18-(9-dibenzothiophen-2-ylcarbazol-3-yl)-10,10,21,21-tetramethyl-14-(4-phenylphenyl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118346997
10-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
CID 159234531

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine (CID 134440418) is 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine is c1ccc(-c2ccc(N3c4ccccc4C4(CCC(c5ccc(-c6ccc(N7c8ccccc8Oc8ccccc87)cc6)cc5)CC4)c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)cc2)cc1.
What is the InChIKey of 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine?
The InChIKey is CKNPCHKYCFCJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2OS/c1-2-12-44(13-3-1)47-26-32-52(33-27-47)67-58-16-6-5-15-56(58)66(57-43-51(30-36-59(57)67)50-31-37-65-55(42-50)54-14-4-11-21-64(54)70-65)40-38-49(39-41-66)46-24-22-45(23-25-46)48-28-34-53(35-29-48)68-60-17-7-9-19-62(60)69-63-20-10-8-18-61(63)68/h1-37,42-43,49H,38-41H2.
What are the key properties of 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine?
10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine has a molecular weight of 917.19 g/mol, XLogP of 19.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine is sourced from PubChem (CID 134440418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).