N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine

C42H27NOS — CID 167293358

IUPACN-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C42H27NOS/c1-3-13-28(14-4-1)31-19-11-21-36(41(31)35-20-12-24-40-42(35)34-18-8-10-23-39(34)45-40)43(29-15-5-2-6-16-29)30-25-26-33-32-17-7-9-22-37(32)44-38(33)27-30/h1-27H
InChIKeyUHASFQMSMFEOEK-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine

N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine (PubChem CID 167293358) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
PubChem CID167293358
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C42H27NOS/c1-3-13-28(14-4-1)31-19-11-21-36(41(31)35-20-12-24-40-42(35)34-18-8-10-23-39(34)45-40)43(29-15-5-2-6-16-29)30-25-26-33-32-17-7-9-22-37(32)44-38(33)27-30/h1-27H
InChIKeyUHASFQMSMFEOEK-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-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281468
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 165004236

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine (CID 167293358) is N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is UHASFQMSMFEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-3-13-28(14-4-1)31-19-11-21-36(41(31)35-20-12-24-40-42(35)34-18-8-10-23-39(34)45-40)43(29-15-5-2-6-16-29)30-25-26-33-32-17-7-9-22-37(32)44-38(33)27-30/h1-27H.
What are the key properties of N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine?
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-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-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 167293358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).