N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine

C52H37NO2S — CID 174244204

IUPACN-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC(C)(C)c1cccc(N(c2ccccc2)c2cccc3c2sc2c(-c4ccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c5c4)cccc23)c1
InChIInChI=1S/C52H37NO2S/c1-52(2,3)35-12-9-15-37(31-35)53(36-13-5-4-6-14-36)45-20-11-19-43-42-18-10-17-38(50(42)56-51(43)45)34-24-27-47-44(28-34)41-26-23-33(30-49(41)55-47)32-22-25-40-39-16-7-8-21-46(39)54-48(40)29-32/h4-31H,1-3H3
InChIKeyRVKGTWQJVCGTRY-UHFFFAOYSA-N
MW739.94 g/mol
LogP15.95
Rot. Bonds5

About N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine

N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine (PubChem CID 174244204) has the molecular formula C52H37NO2S and a molecular weight of 739.94 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine
PubChem CID174244204
Molecular FormulaC52H37NO2S
Molecular Weight739.94 g/mol
Exact Mass739.25
IUPAC NameN-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC(C)(C)c1cccc(N(c2ccccc2)c2cccc3c2sc2c(-c4ccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c5c4)cccc23)c1
InChIInChI=1S/C52H37NO2S/c1-52(2,3)35-12-9-15-37(31-35)53(36-13-5-4-6-14-36)45-20-11-19-43-42-18-10-17-38(50(42)56-51(43)45)34-24-27-47-44(28-34)41-26-23-33(30-49(41)55-47)32-22-25-40-39-16-7-8-21-46(39)54-48(40)29-32/h4-31H,1-3H3
InChIKeyRVKGTWQJVCGTRY-UHFFFAOYSA-N
XLogP15.95
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.94
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
CID 148653101
8-(8-dibenzofuran-3-yldibenzofuran-2-yl)-N,N-diphenyldibenzofuran-1-amine
CID 174244453
N-(3-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300132
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397858
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
8-carbazol-9-yl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374694
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
7-N-(4-tert-butylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,7-N-diphenyldibenzofuran-1,7-diamine;7-[4-(N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]-N,N-diphenyldibenzothiophen-1-amine;7-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N,7-N-triphenyldibenzothiophene-1,7-diamine;N-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-phenyl-7-[4-(N-phenylanilino)phenyl]dibenzothiophen-1-amine;4-N-(4-dibenzothiophen-3-ylphenyl)-2-N,2-N,4-N-triphenyldibenzofuran-2,4-diamine;methane;1-N,7-N,7-N-triphenyl-1-N-[4-(7-phenyldibenzofuran-2-yl)phenyl]dibenzothiophene-1,7-diamine
CID 167623460

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine (CID 174244204) is N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine is CC(C)(C)c1cccc(N(c2ccccc2)c2cccc3c2sc2c(-c4ccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c5c4)cccc23)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is RVKGTWQJVCGTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO2S/c1-52(2,3)35-12-9-15-37(31-35)53(36-13-5-4-6-14-36)45-20-11-19-43-42-18-10-17-38(50(42)56-51(43)45)34-24-27-47-44(28-34)41-26-23-33(30-49(41)55-47)32-22-25-40-39-16-7-8-21-46(39)54-48(40)29-32/h4-31H,1-3H3.
What are the key properties of N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine?
N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine has a molecular weight of 739.94 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-6-(7-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 174244204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).