6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C48H31NOS — CID 163678031

IUPAC6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-4-13-32(14-5-1)33-25-27-36(28-26-33)49(37-29-30-40-41-21-10-19-38(34-15-6-2-7-16-34)46(41)50-45(40)31-37)44-24-12-23-43-42-22-11-20-39(47(42)51-48(43)44)35-17-8-3-9-18-35/h1-31H
InChIKeyDBLXSCHTOYONSG-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 163678031) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID163678031
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC Name6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-4-13-32(14-5-1)33-25-27-36(28-26-33)49(37-29-30-40-41-21-10-19-38(34-15-6-2-7-16-34)46(41)50-45(40)31-37)44-24-12-23-43-42-22-11-20-39(47(42)51-48(43)44)35-17-8-3-9-18-35/h1-31H
InChIKeyDBLXSCHTOYONSG-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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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 163678031) is 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is DBLXSCHTOYONSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-4-13-32(14-5-1)33-25-27-36(28-26-33)49(37-29-30-40-41-21-10-19-38(34-15-6-2-7-16-34)46(41)50-45(40)31-37)44-24-12-23-43-42-22-11-20-39(47(42)51-48(43)44)35-17-8-3-9-18-35/h1-31H.
What are the key properties of 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-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 6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 163678031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).