(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine

C31H21NS — CID 142319431

IUPAC(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
SMILES[H]/N=C(\c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C31H21NS/c32-31(24-13-6-11-22(19-24)21-9-2-1-3-10-21)25-14-7-12-23(20-25)26-16-8-18-29-30(26)27-15-4-5-17-28(27)33-29/h1-20,32H/b32-31+
InChIKeyJNXPNADAQLKILV-QNEJGDQOSA-N
MW439.58 g/mol
LogP8.80
Rot. Bonds4

About (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine

(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine (PubChem CID 142319431) has the molecular formula C31H21NS and a molecular weight of 439.58 g/mol. Its IUPAC name is (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine.

Molecular Properties

Compound Name(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
PubChem CID142319431
Molecular FormulaC31H21NS
Molecular Weight439.58 g/mol
Exact Mass439.14
IUPAC Name(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
SMILES[H]/N=C(\c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C31H21NS/c32-31(24-13-6-11-22(19-24)21-9-2-1-3-10-21)25-14-7-12-23(20-25)26-16-8-18-29-30(26)27-15-4-5-17-28(27)33-29/h1-20,32H/b32-31+
InChIKeyJNXPNADAQLKILV-QNEJGDQOSA-N
XLogP8.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyldibenzothiophene;hydrobromide
CID 174679709
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
ethane;2-methylcyclohexa-1,3-diene;[8-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-yl]-(3-phenylphenyl)methanimine
CID 142352880
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
4-(3-dibenzothiophen-1-ylphenyl)-6-(3-dibenzothiophen-1-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583431
2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 159439837
1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene
CID 170133675
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263

Frequently Asked Questions

What is the IUPAC name of (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine?
The IUPAC name of (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine (CID 142319431) is (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine.
What is the SMILES notation for (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine?
The canonical SMILES for (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine is [H]/N=C(\c1cccc(-c2ccccc2)c1)c1cccc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine?
The InChIKey is JNXPNADAQLKILV-QNEJGDQOSA-N. The full InChI is InChI=1S/C31H21NS/c32-31(24-13-6-11-22(19-24)21-9-2-1-3-10-21)25-14-7-12-23(20-25)26-16-8-18-29-30(26)27-15-4-5-17-28(27)33-29/h1-20,32H/b32-31+.
What are the key properties of (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine?
(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine has a molecular weight of 439.58 g/mol, XLogP of 8.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine is sourced from PubChem (CID 142319431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).