N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline

C30H22N2S — CID 130249902

IUPACN-(4-phenothiazin-10-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C30H22N2S/c1-2-10-22(11-3-1)25-12-4-5-13-26(25)31-23-18-20-24(21-19-23)32-27-14-6-8-16-29(27)33-30-17-9-7-15-28(30)32/h1-21,31H
InChIKeyLVNYXBGLNHLGSS-UHFFFAOYSA-N
MW442.59 g/mol
LogP9.03
Rot. Bonds4

About N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline

N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline (PubChem CID 130249902) has the molecular formula C30H22N2S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(4-phenothiazin-10-ylphenyl)-2-phenylaniline
PubChem CID130249902
Molecular FormulaC30H22N2S
Molecular Weight442.59 g/mol
Exact Mass442.15
IUPAC NameN-(4-phenothiazin-10-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2Nc2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C30H22N2S/c1-2-10-22(11-3-1)25-12-4-5-13-26(25)31-23-18-20-24(21-19-23)32-27-14-6-8-16-29(27)33-30-17-9-7-15-28(30)32/h1-21,31H
InChIKeyLVNYXBGLNHLGSS-UHFFFAOYSA-N
XLogP9.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155296991
perchloric acid;10-phenylphenothiazine
CID 71365783
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-[4-[4-[3-(4-phenothiazin-10-ylphenyl)-4-pyridinyl]-3-pyridinyl]phenyl]phenothiazine
CID 122433873
N-(4-ethenylphenyl)-2-phenylaniline
CID 142706945
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344

Frequently Asked Questions

What is the IUPAC name of N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline?
The IUPAC name of N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline (CID 130249902) is N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2Nc2ccc(N3c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline?
The InChIKey is LVNYXBGLNHLGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2S/c1-2-10-22(11-3-1)25-12-4-5-13-26(25)31-23-18-20-24(21-19-23)32-27-14-6-8-16-29(27)33-30-17-9-7-15-28(30)32/h1-21,31H.
What are the key properties of N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline?
N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline has a molecular weight of 442.59 g/mol, XLogP of 9.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenothiazin-10-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 130249902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).