N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine

C36H23NS — CID 145447802

IUPACN-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine
SMILESC(=N/Cc1ccccc1)\c1cccc2sc3ccc(-c4cccc5c4-c4cccc6cccc-5c46)cc3c12
InChIInChI=1S/C36H23NS/c1-2-8-23(9-3-1)21-37-22-26-12-6-17-33-35(26)31-20-25(18-19-32(31)38-33)27-13-7-15-29-28-14-4-10-24-11-5-16-30(34(24)28)36(27)29/h1-20,22H,21H2/b37-22+
InChIKeyRKHOUIWSYSVBTN-SEBMTOOBSA-N
MW501.65 g/mol
LogP10.14
Rot. Bonds4

About N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine

N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine (PubChem CID 145447802) has the molecular formula C36H23NS and a molecular weight of 501.65 g/mol. Its IUPAC name is N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine
PubChem CID145447802
Molecular FormulaC36H23NS
Molecular Weight501.65 g/mol
Exact Mass501.16
IUPAC NameN-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine
SMILESC(=N/Cc1ccccc1)\c1cccc2sc3ccc(-c4cccc5c4-c4cccc6cccc-5c46)cc3c12
InChIInChI=1S/C36H23NS/c1-2-8-23(9-3-1)21-37-22-26-12-6-17-33-35(26)31-20-25(18-19-32(31)38-33)27-13-7-15-29-28-14-4-10-24-11-5-16-30(34(24)28)36(27)29/h1-20,22H,21H2/b37-22+
InChIKeyRKHOUIWSYSVBTN-SEBMTOOBSA-N
XLogP10.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.65
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine
CID 145447357
1-benzyl-8-naphthalen-1-yldibenzothiophene
CID 142353008
N-benzylmethanimine;[8-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine;toluene
CID 145447897
13-dibenzothiophen-2-yl-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524500
5-dibenzothiophen-2-yl-9,17-dioxaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 164958738
2-(9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428982
2-(benzyliminomethyl)-N-[2-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-methylaniline
CID 170131551
1-(2-phenyl-6-triphenylen-1-ylphenyl)dibenzothiophene
CID 166134859
2-(6-phenylpyren-1-yl)-8-pyren-1-yldibenzothiophene
CID 59758450
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
2-(12-dibenzothiophen-2-yl-4-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428991
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine?
The IUPAC name of N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine (CID 145447802) is N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine?
The canonical SMILES for N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine is C(=N/Cc1ccccc1)\c1cccc2sc3ccc(-c4cccc5c4-c4cccc6cccc-5c46)cc3c12.
What is the InChIKey of N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine?
The InChIKey is RKHOUIWSYSVBTN-SEBMTOOBSA-N. The full InChI is InChI=1S/C36H23NS/c1-2-8-23(9-3-1)21-37-22-26-12-6-17-33-35(26)31-20-25(18-19-32(31)38-33)27-13-7-15-29-28-14-4-10-24-11-5-16-30(34(24)28)36(27)29/h1-20,22H,21H2/b37-22+.
What are the key properties of N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine?
N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine has a molecular weight of 501.65 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine is sourced from PubChem (CID 145447802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).