10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine

C49H30N2S2 — CID 140915422

IUPAC10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(N3c4ccccc4Sc4ccccc43)cccc21
InChIInChI=1S/C49H30N2S2/c1-3-16-35-32(14-1)33-29-28-31(50-39-19-5-9-24-44(39)52-45-25-10-6-20-40(45)50)30-38(33)49(35)36-17-4-2-15-34(36)48-37(49)18-13-23-43(48)51-41-21-7-11-26-46(41)53-47-27-12-8-22-42(47)51/h1-30H
InChIKeyXDLPUZFXHHJSLW-UHFFFAOYSA-N
MW710.93 g/mol
LogP13.90
Rot. Bonds2

About 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine

10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine (PubChem CID 140915422) has the molecular formula C49H30N2S2 and a molecular weight of 710.93 g/mol. Its IUPAC name is 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine.

Molecular Properties

Compound Name10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
PubChem CID140915422
Molecular FormulaC49H30N2S2
Molecular Weight710.93 g/mol
Exact Mass710.19
IUPAC Name10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(N3c4ccccc4Sc4ccccc43)cccc21
InChIInChI=1S/C49H30N2S2/c1-3-16-35-32(14-1)33-29-28-31(50-39-19-5-9-24-44(39)52-45-25-10-6-20-40(45)50)30-38(33)49(35)36-17-4-2-15-34(36)48-37(49)18-13-23-43(48)51-41-21-7-11-26-46(41)53-47-27-12-8-22-42(47)51/h1-30H
InChIKeyXDLPUZFXHHJSLW-UHFFFAOYSA-N
XLogP13.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.93
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2'-(9H-thioxanthen-9-yl)-9,9'-spirobi[fluorene]-4-yl]phenothiazine
CID 167176513
10-[4-(3,4-dihydrophenothiazin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-7,8-didehydrophenothiazine;ethane
CID 145291043
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 163516802
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
21-phenylspiro[14-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249547
N-[4-(9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2'-phenoxazin-10-yl-N-phenyl-9,9'-spirobi[fluorene]-4-amine;4-phenothiazin-10-yl-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;2'-phenoxazin-10-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 160695196
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090

Frequently Asked Questions

What is the IUPAC name of 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine?
The IUPAC name of 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine (CID 140915422) is 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine.
What is the SMILES notation for 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine?
The canonical SMILES for 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(N3c4ccccc4Sc4ccccc43)cccc21.
What is the InChIKey of 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine?
The InChIKey is XDLPUZFXHHJSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S2/c1-3-16-35-32(14-1)33-29-28-31(50-39-19-5-9-24-44(39)52-45-25-10-6-20-40(45)50)30-38(33)49(35)36-17-4-2-15-34(36)48-37(49)18-13-23-43(48)51-41-21-7-11-26-46(41)53-47-27-12-8-22-42(47)51/h1-30H.
What are the key properties of 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine?
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine has a molecular weight of 710.93 g/mol, XLogP of 13.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine is sourced from PubChem (CID 140915422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).