N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C42H27NOS — CID 129085217

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-24-36-35-10-4-6-12-39(35)44-40(36)27-34)33-21-16-30(17-22-33)31-18-25-42-38(26-31)37-11-5-7-13-41(37)45-42/h1-27H
InChIKeyMCAYDLNXZMXICF-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 129085217) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID129085217
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-24-36-35-10-4-6-12-39(35)44-40(36)27-34)33-21-16-30(17-22-33)31-18-25-42-38(26-31)37-11-5-7-13-41(37)45-42/h1-27H
InChIKeyMCAYDLNXZMXICF-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-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
4-[7-(3-dibenzofuran-3-ylphenyl)dibenzothiophen-2-yl]-N,N-diphenylaniline
CID 90076355
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
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
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 129085217) is N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is MCAYDLNXZMXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-24-36-35-10-4-6-12-39(35)44-40(36)27-34)33-21-16-30(17-22-33)31-18-25-42-38(26-31)37-11-5-7-13-41(37)45-42/h1-27H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-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-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 129085217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).