[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine

C37H25NS — CID 145447392

IUPAC[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine
SMILES[H]/N=C/c1cccc2sc3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4-c4ccccc4)cc3c12
InChIInChI=1S/C37H25NS/c38-24-31-15-8-16-36-37(31)34-23-30(18-20-35(34)39-36)32-19-17-29(22-33(32)26-11-5-2-6-12-26)28-14-7-13-27(21-28)25-9-3-1-4-10-25/h1-24,38H/b38-24+
InChIKeyNRRQIJSMJUNXQX-RQXXSLPSSA-N
MW515.68 g/mol
LogP10.72
Rot. Bonds5

About [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine

[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine (PubChem CID 145447392) has the molecular formula C37H25NS and a molecular weight of 515.68 g/mol. Its IUPAC name is [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine.

Molecular Properties

Compound Name[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine
PubChem CID145447392
Molecular FormulaC37H25NS
Molecular Weight515.68 g/mol
Exact Mass515.17
IUPAC Name[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine
SMILES[H]/N=C/c1cccc2sc3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4-c4ccccc4)cc3c12
InChIInChI=1S/C37H25NS/c38-24-31-15-8-16-36-37(31)34-23-30(18-20-35(34)39-36)32-19-17-29(22-33(32)26-11-5-2-6-12-26)28-14-7-13-27(21-28)25-9-3-1-4-10-25/h1-24,38H/b38-24+
InChIKeyNRRQIJSMJUNXQX-RQXXSLPSSA-N
XLogP10.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 510.72
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

[8-(4-phenylphenyl)dibenzothiophen-1-yl]methanimine
CID 145447302
N-benzylmethanimine;[8-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine;toluene
CID 145447897
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
CID 156643036
2-[8-(3,4-diphenylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134198722
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
N-(4-dibenzothiophen-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831978
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
5,18-diphenyl-11-(3-phenylphenyl)-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004012

Frequently Asked Questions

What is the IUPAC name of [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine?
The IUPAC name of [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine (CID 145447392) is [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine.
What is the SMILES notation for [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine?
The canonical SMILES for [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine is [H]/N=C/c1cccc2sc3ccc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4-c4ccccc4)cc3c12.
What is the InChIKey of [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine?
The InChIKey is NRRQIJSMJUNXQX-RQXXSLPSSA-N. The full InChI is InChI=1S/C37H25NS/c38-24-31-15-8-16-36-37(31)34-23-30(18-20-35(34)39-36)32-19-17-29(22-33(32)26-11-5-2-6-12-26)28-14-7-13-27(21-28)25-9-3-1-4-10-25/h1-24,38H/b38-24+.
What are the key properties of [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine?
[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine has a molecular weight of 515.68 g/mol, XLogP of 10.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methanimine is sourced from PubChem (CID 145447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).