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

C48H31NOS — CID 170665863

IUPACN-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(36-29-30-40-39-18-8-10-24-45(39)51-46(40)31-36)43-22-12-19-37(34-15-5-2-6-16-34)47(43)42-21-11-20-41-38-17-7-9-23-44(38)50-48(41)42/h1-31H
InChIKeyYADYBSUDFQXASY-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

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

N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 170665863) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID170665863
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(36-29-30-40-39-18-8-10-24-45(39)51-46(40)31-36)43-22-12-19-37(34-15-5-2-6-16-34)47(43)42-21-11-20-41-38-17-7-9-23-44(38)50-48(41)42/h1-31H
InChIKeyYADYBSUDFQXASY-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167293358
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790885
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 170666068
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 167397714

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 170665863) is N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is YADYBSUDFQXASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)49(36-29-30-40-39-18-8-10-24-45(39)51-46(40)31-36)43-22-12-19-37(34-15-5-2-6-16-34)47(43)42-21-11-20-41-38-17-7-9-23-44(38)50-48(41)42/h1-31H.
What are the key properties of N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 669.85 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 170665863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).