4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline

C36H25NOS — CID 166714643

IUPAC4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline
SMILESC1=Cc2c(oc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)ccc4Nc4ccccc4)cc23)CC1
InChIInChI=1S/C36H25NOS/c1-2-8-26(9-3-1)37-32-17-14-23(24-16-19-36-31(21-24)28-11-5-7-13-35(28)39-36)20-29(32)25-15-18-34-30(22-25)27-10-4-6-12-33(27)38-34/h1-5,7-11,13-22,37H,6,12H2
InChIKeyMWJWXPSMMNHMFT-UHFFFAOYSA-N
MW519.67 g/mol
LogP10.84
Rot. Bonds4

About 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline

4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline (PubChem CID 166714643) has the molecular formula C36H25NOS and a molecular weight of 519.67 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline
PubChem CID166714643
Molecular FormulaC36H25NOS
Molecular Weight519.67 g/mol
Exact Mass519.17
IUPAC Name4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline
SMILESC1=Cc2c(oc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)ccc4Nc4ccccc4)cc23)CC1
InChIInChI=1S/C36H25NOS/c1-2-8-26(9-3-1)37-32-17-14-23(24-16-19-36-31(21-24)28-11-5-7-13-35(28)39-36)20-29(32)25-15-18-34-30(22-25)27-10-4-6-12-33(27)38-34/h1-5,7-11,13-22,37H,6,12H2
InChIKeyMWJWXPSMMNHMFT-UHFFFAOYSA-N
XLogP10.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
CID 164934429
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-[11,17-di(dibenzothiophen-2-yl)-24-(6,7-dihydrodibenzothiophen-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaenyl]dibenzothiophene
CID 89132816
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167008444
N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770
2-[6-(9-oxo-5,6-dihydroxanthen-2-yl)dibenzothiophen-4-yl]xanthen-9-one
CID 123670275
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline?
The IUPAC name of 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline (CID 166714643) is 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline.
What is the SMILES notation for 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline?
The canonical SMILES for 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline is C1=Cc2c(oc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)ccc4Nc4ccccc4)cc23)CC1.
What is the InChIKey of 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline?
The InChIKey is MWJWXPSMMNHMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NOS/c1-2-8-26(9-3-1)37-32-17-14-23(24-16-19-36-31(21-24)28-11-5-7-13-35(28)39-36)20-29(32)25-15-18-34-30(22-25)27-10-4-6-12-33(27)38-34/h1-5,7-11,13-22,37H,6,12H2.
What are the key properties of 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline?
4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline has a molecular weight of 519.67 g/mol, XLogP of 10.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-2-(6,7-dihydrodibenzofuran-2-yl)-N-phenylaniline is sourced from PubChem (CID 166714643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).