6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

C58H35NO2S — CID 169296372

IUPAC6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5c(-c6cccc7c6oc6ccccc67)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C58H35NO2S/c1-2-13-36(14-3-1)37-27-31-40(32-28-37)59(41-33-29-38(30-34-41)43-19-10-21-47-45-18-7-9-26-53(45)62-58(43)47)50-23-12-25-52-55(50)49-35-39-15-4-5-16-42(39)54(57(49)61-52)48-22-11-20-46-44-17-6-8-24-51(44)60-56(46)48/h1-35H
InChIKeyVTBWUTNUALZSCK-UHFFFAOYSA-N
MW809.99 g/mol
LogP17.48
Rot. Bonds6

About 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 169296372) has the molecular formula C58H35NO2S and a molecular weight of 809.99 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID169296372
Molecular FormulaC58H35NO2S
Molecular Weight809.99 g/mol
Exact Mass809.24
IUPAC Name6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5c(-c6cccc7c6oc6ccccc67)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C58H35NO2S/c1-2-13-36(14-3-1)37-27-31-40(32-28-37)59(41-33-29-38(30-34-41)43-19-10-21-47-45-18-7-9-26-53(45)62-58(43)47)50-23-12-25-52-55(50)49-35-39-15-4-5-16-42(39)54(57(49)61-52)48-22-11-20-46-44-17-6-8-24-51(44)60-56(46)48/h1-35H
InChIKeyVTBWUTNUALZSCK-UHFFFAOYSA-N
XLogP17.48
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.99
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161357638
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788439
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-amine
CID 169295967
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N,N-bis(4-dibenzofuran-2-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)phenanthren-4-amine
CID 160723829
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 169296372) is 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5c(-c6cccc7c6oc6ccccc67)c6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is VTBWUTNUALZSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2S/c1-2-13-36(14-3-1)37-27-31-40(32-28-37)59(41-33-29-38(30-34-41)43-19-10-21-47-45-18-7-9-26-53(45)62-58(43)47)50-23-12-25-52-55(50)49-35-39-15-4-5-16-42(39)54(57(49)61-52)48-22-11-20-46-44-17-6-8-24-51(44)60-56(46)48/h1-35H.
What are the key properties of 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 809.99 g/mol, XLogP of 17.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 169296372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).