N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine

C44H29NS2 — CID 145447357

IUPACN-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine
SMILESC(=N/Cc1cccc(-c2ccc3c(c2)sc2ccccc23)c1)\c1cccc2sc3ccc(-c4cccc(-c5ccccc5)c4)cc3c12
InChIInChI=1S/C44H29NS2/c1-2-10-30(11-3-1)32-13-7-14-33(24-32)34-20-22-41-39(25-34)44-36(15-8-18-42(44)46-41)28-45-27-29-9-6-12-31(23-29)35-19-21-38-37-16-4-5-17-40(37)47-43(38)26-35/h1-26,28H,27H2/b45-28+
InChIKeyIYXPFIFXUOSCTJ-DYNJLWMLSA-N
MW635.86 g/mol
LogP13.04
Rot. Bonds6

About N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine

N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine (PubChem CID 145447357) has the molecular formula C44H29NS2 and a molecular weight of 635.86 g/mol. Its IUPAC name is N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine.

Molecular Properties

Compound NameN-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine
PubChem CID145447357
Molecular FormulaC44H29NS2
Molecular Weight635.86 g/mol
Exact Mass635.17
IUPAC NameN-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine
SMILESC(=N/Cc1cccc(-c2ccc3c(c2)sc2ccccc23)c1)\c1cccc2sc3ccc(-c4cccc(-c5ccccc5)c4)cc3c12
InChIInChI=1S/C44H29NS2/c1-2-10-30(11-3-1)32-13-7-14-33(24-32)34-20-22-41-39(25-34)44-36(15-8-18-42(44)46-41)28-45-27-29-9-6-12-31(23-29)35-19-21-38-37-16-4-5-17-40(37)47-43(38)26-35/h1-26,28H,27H2/b45-28+
InChIKeyIYXPFIFXUOSCTJ-DYNJLWMLSA-N
XLogP13.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.86
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(8-fluoranthen-7-yldibenzothiophen-1-yl)methanimine
CID 145447802
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 155006729
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine
CID 145447302
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
6-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426392
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206

Frequently Asked Questions

What is the IUPAC name of N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine?
The IUPAC name of N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine (CID 145447357) is N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine.
What is the SMILES notation for N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine?
The canonical SMILES for N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine is C(=N/Cc1cccc(-c2ccc3c(c2)sc2ccccc23)c1)\c1cccc2sc3ccc(-c4cccc(-c5ccccc5)c4)cc3c12.
What is the InChIKey of N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine?
The InChIKey is IYXPFIFXUOSCTJ-DYNJLWMLSA-N. The full InChI is InChI=1S/C44H29NS2/c1-2-10-30(11-3-1)32-13-7-14-33(24-32)34-20-22-41-39(25-34)44-36(15-8-18-42(44)46-41)28-45-27-29-9-6-12-31(23-29)35-19-21-38-37-16-4-5-17-40(37)47-43(38)26-35/h1-26,28H,27H2/b45-28+.
What are the key properties of N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine?
N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine has a molecular weight of 635.86 g/mol, XLogP of 13.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-dibenzothiophen-3-ylphenyl)methyl]-1-[8-(3-phenylphenyl)dibenzothiophen-1-yl]methanimine is sourced from PubChem (CID 145447357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).