N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine

C34H27NO2S — CID 171604639

IUPACN-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine
SMILESCC(C)(C)c1ccc2scc(Nc3cc(-c4cc5ccccc5o4)cc(-c4cc5ccccc5o4)c3)c2c1
InChIInChI=1S/C34H27NO2S/c1-34(2,3)25-12-13-33-27(19-25)28(20-38-33)35-26-15-23(31-17-21-8-4-6-10-29(21)36-31)14-24(16-26)32-18-22-9-5-7-11-30(22)37-32/h4-20,35H,1-3H3
InChIKeyAUDJLPYAQOUXDH-UHFFFAOYSA-N
MW513.66 g/mol
LogP10.77
Rot. Bonds4

About N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine

N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine (PubChem CID 171604639) has the molecular formula C34H27NO2S and a molecular weight of 513.66 g/mol. Its IUPAC name is N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine
PubChem CID171604639
Molecular FormulaC34H27NO2S
Molecular Weight513.66 g/mol
Exact Mass513.18
IUPAC NameN-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine
SMILESCC(C)(C)c1ccc2scc(Nc3cc(-c4cc5ccccc5o4)cc(-c4cc5ccccc5o4)c3)c2c1
InChIInChI=1S/C34H27NO2S/c1-34(2,3)25-12-13-33-27(19-25)28(20-38-33)35-26-15-23(31-17-21-8-4-6-10-29(21)36-31)14-24(16-26)32-18-22-9-5-7-11-30(22)37-32/h4-20,35H,1-3H3
InChIKeyAUDJLPYAQOUXDH-UHFFFAOYSA-N
XLogP10.77
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 510.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline
CID 171429896
N-[2,6-bis(4-tert-butylphenyl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine
CID 176593180
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
3-N-(4-tert-butylphenyl)-5-N,5-N-bis(2-methylphenyl)-1-benzothiophene-3,5-diamine
CID 164708667
4-(1-benzofuran-2-yl)-6-tert-butylchromen-2-one
CID 909055
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337489
2-[3,6,8-tris(4-tert-butylphenyl)pyren-1-yl]-1-benzofuran
CID 59390421
6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine
CID 171422549
11,17-bis[4-(1-benzofuran-2-yl)phenyl]-7,21-ditert-butyl-14-propan-2-yl-3,25-dithia-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
CID 171605550
5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
CID 102492573
2-[22-(4-tert-butylphenyl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1-benzofuran
CID 59413412
14-[4-(1-benzofuran-2-yl)-2,6-dimethylphenyl]-4,11,18-tritert-butyl-8-(4-tert-butylphenyl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
CID 171604914

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine?
The IUPAC name of N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine (CID 171604639) is N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine.
What is the SMILES notation for N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine?
The canonical SMILES for N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine is CC(C)(C)c1ccc2scc(Nc3cc(-c4cc5ccccc5o4)cc(-c4cc5ccccc5o4)c3)c2c1.
What is the InChIKey of N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine?
The InChIKey is AUDJLPYAQOUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO2S/c1-34(2,3)25-12-13-33-27(19-25)28(20-38-33)35-26-15-23(31-17-21-8-4-6-10-29(21)36-31)14-24(16-26)32-18-22-9-5-7-11-30(22)37-32/h4-20,35H,1-3H3.
What are the key properties of N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine?
N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine has a molecular weight of 513.66 g/mol, XLogP of 10.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-benzothiophen-3-amine is sourced from PubChem (CID 171604639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).