4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline

C36H28N4S — CID 172878754

IUPAC4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline
SMILESNc1ccc(-c2ccc(N3c4ccc(-c5ccc(N)cc5)cc4Sc4cc(-c5ccc(N)cc5)ccc43)cc2)cc1
InChIInChI=1S/C36H28N4S/c37-29-11-1-23(2-12-29)24-7-17-32(18-8-24)40-33-19-9-27(25-3-13-30(38)14-4-25)21-35(33)41-36-22-28(10-20-34(36)40)26-5-15-31(39)16-6-26/h1-22H,37-39H2
InChIKeyYDQOVCZKUNGUEQ-UHFFFAOYSA-N
MW548.72 g/mol
LogP9.37
Rot. Bonds4

About 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline

4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline (PubChem CID 172878754) has the molecular formula C36H28N4S and a molecular weight of 548.72 g/mol. Its IUPAC name is 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline
PubChem CID172878754
Molecular FormulaC36H28N4S
Molecular Weight548.72 g/mol
Exact Mass548.20
IUPAC Name4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline
SMILESNc1ccc(-c2ccc(N3c4ccc(-c5ccc(N)cc5)cc4Sc4cc(-c5ccc(N)cc5)ccc43)cc2)cc1
InChIInChI=1S/C36H28N4S/c37-29-11-1-23(2-12-29)24-7-17-32(18-8-24)40-33-19-9-27(25-3-13-30(38)14-4-25)21-35(33)41-36-22-28(10-20-34(36)40)26-5-15-31(39)16-6-26/h1-22H,37-39H2
InChIKeyYDQOVCZKUNGUEQ-UHFFFAOYSA-N
XLogP9.37
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.72
LogP ≤ 59.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
CID 71004008
3,7-dibromo-10-(4-bromophenyl)phenothiazine
CID 638546
3,7-bis(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methyl-7-(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3,7-bis(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3-(4-phenothiazin-10-ylphenyl)phenothiazine
CID 159482320
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
CID 144768210
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]phenothiazin-10-yl)phenyl]phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]phenothiazine
CID 126598912
2,2'-bis(4-phenothiazin-10-ylphenyl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155772051
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393
3,7-di(carbazol-9-yl)-10-(11-phenyltriphenylen-2-yl)phenothiazine
CID 121475719

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline?
The IUPAC name of 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline (CID 172878754) is 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline?
The canonical SMILES for 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline is Nc1ccc(-c2ccc(N3c4ccc(-c5ccc(N)cc5)cc4Sc4cc(-c5ccc(N)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline?
The InChIKey is YDQOVCZKUNGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4S/c37-29-11-1-23(2-12-29)24-7-17-32(18-8-24)40-33-19-9-27(25-3-13-30(38)14-4-25)21-35(33)41-36-22-28(10-20-34(36)40)26-5-15-31(39)16-6-26/h1-22H,37-39H2.
What are the key properties of 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline?
4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline has a molecular weight of 548.72 g/mol, XLogP of 9.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,7-bis(4-aminophenyl)phenothiazin-10-yl]phenyl]aniline is sourced from PubChem (CID 172878754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).