N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine

C164H99N3O6S3 — CID 165017841

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)c5cccc6sc7ccccc7c56)cc4)cccc23)cc1.c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3c(cc2c1)sc1ccccc13.c1ccc2c(c1)cc(N(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1c3ccccc3sc21
InChIInChI=1S/C60H37NO2S.2C52H31NO2S/c1-3-14-38(15-4-1)44-19-9-23-48-50-25-11-21-46(59(50)62-57(44)48)40-30-34-42(35-31-40)61(53-27-13-29-55-56(53)52-18-7-8-28-54(52)64-55)43-36-32-41(33-37-43)47-22-12-26-51-49-24-10-20-45(58(49)63-60(47)51)39-16-5-2-6-17-39;1-2-12-39-34(11-1)31-45(49-44-15-5-8-22-48(44)56-52(39)49)53(35-27-23-32(24-28-35)37-16-9-18-42-40-13-3-6-20-46(40)54-50(37)42)36-29-25-33(26-30-36)38-17-10-19-43-41-14-4-7-21-47(41)55-51(38)43;1-2-12-37-34(11-1)31-48-49(44-15-5-8-22-47(44)56-48)50(37)53(35-27-23-32(24-28-35)38-16-9-18-42-40-13-3-6-20-45(40)54-51(38)42)36-29-25-33(26-30-36)39-17-10-19-43-41-14-4-7-21-46(41)55-52(39)43/h1-37H;2*1-31H
InChIKeyKRZUCUMXFSZOMB-UHFFFAOYSA-N
MW2303.81 g/mol
LogP49.61
Rot. Bonds17

About N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 165017841) has the molecular formula C164H99N3O6S3 and a molecular weight of 2303.81 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine
PubChem CID165017841
Molecular FormulaC164H99N3O6S3
Molecular Weight2303.81 g/mol
Exact Mass2301.67
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)c5cccc6sc7ccccc7c56)cc4)cccc23)cc1.c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3c(cc2c1)sc1ccccc13.c1ccc2c(c1)cc(N(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1c3ccccc3sc21
InChIInChI=1S/C60H37NO2S.2C52H31NO2S/c1-3-14-38(15-4-1)44-19-9-23-48-50-25-11-21-46(59(50)62-57(44)48)40-30-34-42(35-31-40)61(53-27-13-29-55-56(53)52-18-7-8-28-54(52)64-55)43-36-32-41(33-37-43)47-22-12-26-51-49-24-10-20-45(58(49)63-60(47)51)39-16-5-2-6-17-39;1-2-12-39-34(11-1)31-45(49-44-15-5-8-22-48(44)56-52(39)49)53(35-27-23-32(24-28-35)37-16-9-18-42-40-13-3-6-20-46(40)54-50(37)42)36-29-25-33(26-30-36)38-17-10-19-43-41-14-4-7-21-47(41)55-51(38)43;1-2-12-37-34(11-1)31-48-49(44-15-5-8-22-47(44)56-48)50(37)53(35-27-23-32(24-28-35)38-16-9-18-42-40-13-3-6-20-45(40)54-51(38)42)36-29-25-33(26-30-36)39-17-10-19-43-41-14-4-7-21-46(41)55-52(39)43/h1-37H;2*1-31H
InChIKeyKRZUCUMXFSZOMB-UHFFFAOYSA-N
XLogP49.61
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.81
LogP ≤ 549.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324123
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176824673
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-phenanthren-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805268
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-9-amine
CID 168805258
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine (CID 165017841) is N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)c5cccc6sc7ccccc7c56)cc4)cccc23)cc1.c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3c(cc2c1)sc1ccccc13.c1ccc2c(c1)cc(N(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1c3ccccc3sc21.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is KRZUCUMXFSZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2S.2C52H31NO2S/c1-3-14-38(15-4-1)44-19-9-23-48-50-25-11-21-46(59(50)62-57(44)48)40-30-34-42(35-31-40)61(53-27-13-29-55-56(53)52-18-7-8-28-54(52)64-55)43-36-32-41(33-37-43)47-22-12-26-51-49-24-10-20-45(58(49)63-60(47)51)39-16-5-2-6-17-39;1-2-12-39-34(11-1)31-45(49-44-15-5-8-22-48(44)56-52(39)49)53(35-27-23-32(24-28-35)37-16-9-18-42-40-13-3-6-20-46(40)54-50(37)42)36-29-25-33(26-30-36)38-17-10-19-43-41-14-4-7-21-47(41)55-51(38)43;1-2-12-37-34(11-1)31-48-49(44-15-5-8-22-47(44)56-48)50(37)53(35-27-23-32(24-28-35)38-16-9-18-42-40-13-3-6-20-45(40)54-51(38)42)36-29-25-33(26-30-36)39-17-10-19-43-41-14-4-7-21-46(41)55-52(39)43/h1-37H;2*1-31H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 2303.81 g/mol, XLogP of 49.61, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-6-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[3,2-b][1]benzothiol-11-amine;N,N-bis[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 165017841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).