4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C49H32N2S2 — CID 163516802

IUPAC4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(Sc2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N4c5ccccc5Sc5ccccc54)cccc32)cc1
InChIInChI=1S/C49H32N2S2/c1-2-15-33(16-3-1)52-45-26-11-8-22-41(45)50-32-29-30-35-34-17-4-6-19-37(34)49(40(35)31-32)38-20-7-5-18-36(38)48-39(49)21-14-25-44(48)51-42-23-9-12-27-46(42)53-47-28-13-10-24-43(47)51/h1-31,50H
InChIKeyDHLHHCNKKADQTB-UHFFFAOYSA-N
MW712.94 g/mol
LogP13.86
Rot. Bonds5

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

4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 163516802) has the molecular formula C49H32N2S2 and a molecular weight of 712.94 g/mol. Its IUPAC name is 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID163516802
Molecular FormulaC49H32N2S2
Molecular Weight712.94 g/mol
Exact Mass712.20
IUPAC Name4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(Sc2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N4c5ccccc5Sc5ccccc54)cccc32)cc1
InChIInChI=1S/C49H32N2S2/c1-2-15-33(16-3-1)52-45-26-11-8-22-41(45)50-32-29-30-35-34-17-4-6-19-37(34)49(40(35)31-32)38-20-7-5-18-36(38)48-39(49)21-14-25-44(48)51-42-23-9-12-27-46(42)53-47-28-13-10-24-43(47)51/h1-31,50H
InChIKeyDHLHHCNKKADQTB-UHFFFAOYSA-N
XLogP13.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 513.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
10-[2'-(9H-thioxanthen-9-yl)-9,9'-spirobi[fluorene]-4-yl]phenothiazine
CID 167176513
10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155296991
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161150146
10-[4-(3,4-dihydrophenothiazin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-7,8-didehydrophenothiazine;ethane
CID 145291043
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709

Frequently Asked Questions

What is the IUPAC name of 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 163516802) is 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine is c1ccc(Sc2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N4c5ccccc5Sc5ccccc54)cccc32)cc1.
What is the InChIKey of 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is DHLHHCNKKADQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2S2/c1-2-15-33(16-3-1)52-45-26-11-8-22-41(45)50-32-29-30-35-34-17-4-6-19-37(34)49(40(35)31-32)38-20-7-5-18-36(38)48-39(49)21-14-25-44(48)51-42-23-9-12-27-46(42)53-47-28-13-10-24-43(47)51/h1-31,50H.
What are the key properties of 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 712.94 g/mol, XLogP of 13.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenothiazin-10-yl-N-(2-phenylsulfanylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 163516802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).