[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine

C31H19NOS — CID 156643036

IUPAC[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
SMILES[H]/N=C/c1cccc2oc3ccc(-c4cccc5sc6cccc(-c7ccccc7)c6c45)cc3c12
InChIInChI=1S/C31H19NOS/c32-18-21-9-4-12-26-29(21)24-17-20(15-16-25(24)33-26)23-11-6-14-28-31(23)30-22(10-5-13-27(30)34-28)19-7-2-1-3-8-19/h1-18,32H/b32-18+
InChIKeyMLVWIIQYDFLBGN-KCSSXMTESA-N
MW453.57 g/mol
LogP9.29
Rot. Bonds3

About [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine

[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine (PubChem CID 156643036) has the molecular formula C31H19NOS and a molecular weight of 453.57 g/mol. Its IUPAC name is [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine.

Molecular Properties

Compound Name[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
PubChem CID156643036
Molecular FormulaC31H19NOS
Molecular Weight453.57 g/mol
Exact Mass453.12
IUPAC Name[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
SMILES[H]/N=C/c1cccc2oc3ccc(-c4cccc5sc6cccc(-c7ccccc7)c6c45)cc3c12
InChIInChI=1S/C31H19NOS/c32-18-21-9-4-12-26-29(21)24-17-20(15-16-25(24)33-26)23-11-6-14-28-31(23)30-22(10-5-13-27(30)34-28)19-7-2-1-3-8-19/h1-18,32H/b32-18+
InChIKeyMLVWIIQYDFLBGN-KCSSXMTESA-N
XLogP9.29
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine
CID 145447482
[8-(6-phenylphenanthren-2-yl)dibenzofuran-1-yl]methanimine
CID 145447318
[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine
CID 145447302
N-[phenyl-[[8-(6-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methylideneamino]methylidene]benzenecarboximidamide
CID 156643465
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
N-benzylmethanimine;[8-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine;toluene
CID 145447897
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 161021591

Frequently Asked Questions

What is the IUPAC name of [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine?
The IUPAC name of [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine (CID 156643036) is [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine.
What is the SMILES notation for [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine?
The canonical SMILES for [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine is [H]/N=C/c1cccc2oc3ccc(-c4cccc5sc6cccc(-c7ccccc7)c6c45)cc3c12.
What is the InChIKey of [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine?
The InChIKey is MLVWIIQYDFLBGN-KCSSXMTESA-N. The full InChI is InChI=1S/C31H19NOS/c32-18-21-9-4-12-26-29(21)24-17-20(15-16-25(24)33-26)23-11-6-14-28-31(23)30-22(10-5-13-27(30)34-28)19-7-2-1-3-8-19/h1-18,32H/b32-18+.
What are the key properties of [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine?
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine has a molecular weight of 453.57 g/mol, XLogP of 9.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine is sourced from PubChem (CID 156643036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).