N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

C42H27NOS — CID 163957586

IUPACN-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-12-8-13-32(26-31)43(33-24-25-36-35-15-5-7-19-40(35)45-41(36)27-33)38-17-9-16-37-34-14-4-6-18-39(34)44-42(37)38/h1-27H
InChIKeyGLBZQPCEPZQZIU-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine

N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 163957586) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID163957586
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-12-8-13-32(26-31)43(33-24-25-36-35-15-5-7-19-40(35)45-41(36)27-33)38-17-9-16-37-34-14-4-6-18-39(34)44-42(37)38/h1-27H
InChIKeyGLBZQPCEPZQZIU-UHFFFAOYSA-N
XLogP12.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
CID 130464753
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine
CID 164950019
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 170040170
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 163957586) is N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is GLBZQPCEPZQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-2-10-28(11-3-1)29-20-22-30(23-21-29)31-12-8-13-32(26-31)43(33-24-25-36-35-15-5-7-19-40(35)45-41(36)27-33)38-17-9-16-37-34-14-4-6-18-39(34)44-42(37)38/h1-27H.
What are the key properties of N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 593.75 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 163957586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).