N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine

C156H93N3O6S3 — CID 165019538

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
SMILESc1ccc2c(c1)ccc1c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3sc21.c1ccc2c(c1)ccc1sc3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3c12.c1ccc2cc3c(cc2c1)sc1cc(N(c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)ccc13
InChIInChI=1S/3C52H31NO2S/c1-2-10-38-32(9-1)23-30-48-50(38)45-29-28-37(31-49(45)56-48)53(35-24-19-33(20-25-35)39-13-7-15-43-41-11-3-5-17-46(41)54-51(39)43)36-26-21-34(22-27-36)40-14-8-16-44-42-12-4-6-18-47(42)55-52(40)44;1-2-10-40-32(9-1)23-29-46-43-30-28-37(31-49(43)56-52(40)46)53(35-24-19-33(20-25-35)38-13-7-15-44-41-11-3-5-17-47(41)54-50(38)44)36-26-21-34(22-27-36)39-14-8-16-45-42-12-4-6-18-48(42)55-51(39)45;1-2-10-35-30-49-46(29-34(35)9-1)43-28-27-38(31-50(43)56-49)53(36-23-19-32(20-24-36)39-13-7-15-44-41-11-3-5-17-47(41)54-51(39)44)37-25-21-33(22-26-37)40-14-8-16-45-42-12-4-6-18-48(42)55-52(40)45/h3*1-31H
InChIKeyKYIRONOVTZSMDD-UHFFFAOYSA-N
MW2201.68 g/mol
LogP47.43
Rot. Bonds15

About N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine (PubChem CID 165019538) has the molecular formula C156H93N3O6S3 and a molecular weight of 2201.68 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
PubChem CID165019538
Molecular FormulaC156H93N3O6S3
Molecular Weight2201.68 g/mol
Exact Mass2199.62
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
SMILESc1ccc2c(c1)ccc1c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3sc21.c1ccc2c(c1)ccc1sc3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3c12.c1ccc2cc3c(cc2c1)sc1cc(N(c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)ccc13
InChIInChI=1S/3C52H31NO2S/c1-2-10-38-32(9-1)23-30-48-50(38)45-29-28-37(31-49(45)56-48)53(35-24-19-33(20-25-35)39-13-7-15-43-41-11-3-5-17-46(41)54-51(39)43)36-26-21-34(22-27-36)40-14-8-16-44-42-12-4-6-18-47(42)55-52(40)44;1-2-10-40-32(9-1)23-29-46-43-30-28-37(31-49(43)56-52(40)46)53(35-24-19-33(20-25-35)38-13-7-15-44-41-11-3-5-17-47(41)54-50(38)44)36-26-21-34(22-27-36)39-14-8-16-45-42-12-4-6-18-48(42)55-51(39)45;1-2-10-35-30-49-46(29-34(35)9-1)43-28-27-38(31-50(43)56-49)53(36-23-19-32(20-24-36)39-13-7-15-44-41-11-3-5-17-47(41)54-51(39)44)37-25-21-33(22-26-37)40-14-8-16-45-42-12-4-6-18-48(42)55-52(40)45/h3*1-31H
InChIKeyKYIRONOVTZSMDD-UHFFFAOYSA-N
XLogP47.43
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002201.68
LogP ≤ 547.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine with MolForge

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Related Compounds

6-N,18-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475631
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350
N-(7-dibenzofuran-4-ylphenanthren-2-yl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164966685
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039767
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
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-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
CID 168805153
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine (CID 165019538) is N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine is c1ccc2c(c1)ccc1c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3sc21.c1ccc2c(c1)ccc1sc3cc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc3c12.c1ccc2cc3c(cc2c1)sc1cc(N(c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)ccc13.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine?
The InChIKey is KYIRONOVTZSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H31NO2S/c1-2-10-38-32(9-1)23-30-48-50(38)45-29-28-37(31-49(45)56-48)53(35-24-19-33(20-25-35)39-13-7-15-43-41-11-3-5-17-46(41)54-51(39)43)36-26-21-34(22-27-36)40-14-8-16-44-42-12-4-6-18-47(42)55-52(40)44;1-2-10-40-32(9-1)23-29-46-43-30-28-37(31-49(43)56-52(40)46)53(35-24-19-33(20-25-35)38-13-7-15-44-41-11-3-5-17-47(41)54-50(38)44)36-26-21-34(22-27-36)39-14-8-16-45-42-12-4-6-18-48(42)55-51(39)45;1-2-10-35-30-49-46(29-34(35)9-1)43-28-27-38(31-50(43)56-49)53(36-23-19-32(20-24-36)39-13-7-15-44-41-11-3-5-17-47(41)54-51(39)44)37-25-21-33(22-26-37)40-14-8-16-45-42-12-4-6-18-48(42)55-52(40)45/h3*1-31H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine has a molecular weight of 2201.68 g/mol, XLogP of 47.43, 15 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-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine is sourced from PubChem (CID 165019538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).