N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

C60H39NOS — CID 168771936

IUPACN-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3sc3c(-c5ccccc5)ccc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C60H39NOS/c1-4-16-40(17-5-1)47-22-10-11-23-48(47)43-30-34-45(35-31-43)61(46-36-32-44(33-37-46)50-25-14-26-53-52-24-12-13-29-56(52)62-58(50)53)55-28-15-27-54-57-49(41-18-6-2-7-19-41)38-39-51(60(57)63-59(54)55)42-20-8-3-9-21-42/h1-39H
InChIKeyZBDOKUKPMLPOOE-UHFFFAOYSA-N
MW822.05 g/mol
LogP17.76
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 168771936) has the molecular formula C60H39NOS and a molecular weight of 822.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID168771936
Molecular FormulaC60H39NOS
Molecular Weight822.05 g/mol
Exact Mass821.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3sc3c(-c5ccccc5)ccc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C60H39NOS/c1-4-16-40(17-5-1)47-22-10-11-23-48(47)43-30-34-45(35-31-43)61(46-36-32-44(33-37-46)50-25-14-26-53-52-24-12-13-29-56(52)62-58(50)53)55-28-15-27-54-57-49(41-18-6-2-7-19-41)38-39-51(60(57)63-59(54)55)42-20-8-3-9-21-42/h1-39H
InChIKeyZBDOKUKPMLPOOE-UHFFFAOYSA-N
XLogP17.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
N-(4-dibenzofuran-1-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396723
N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 168772165
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434894
N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176824673
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 168771936) is N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3sc3c(-c5ccccc5)ccc(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is ZBDOKUKPMLPOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NOS/c1-4-16-40(17-5-1)47-22-10-11-23-48(47)43-30-34-45(35-31-43)61(46-36-32-44(33-37-46)50-25-14-26-53-52-24-12-13-29-56(52)62-58(50)53)55-28-15-27-54-57-49(41-18-6-2-7-19-41)38-39-51(60(57)63-59(54)55)42-20-8-3-9-21-42/h1-39H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 822.05 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).