3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine

C62H40N2OS — CID 122552061

IUPAC3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)sc4cc6ccccc6cc45)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H40N2OS/c1-3-13-41(14-4-1)43-23-27-50(28-24-43)64(52-30-32-60-57(40-52)55-21-11-12-22-59(55)65-60)54-35-48(47-26-31-56-58-36-45-17-9-10-18-46(45)37-62(58)66-61(56)38-47)34-53(39-54)63(49-19-5-2-6-20-49)51-29-25-42-15-7-8-16-44(42)33-51/h1-40H
InChIKeyXLXYVAFGLNXPEG-UHFFFAOYSA-N
MW861.08 g/mol
LogP18.53
Rot. Bonds8

About 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 122552061) has the molecular formula C62H40N2OS and a molecular weight of 861.08 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID122552061
Molecular FormulaC62H40N2OS
Molecular Weight861.08 g/mol
Exact Mass860.29
IUPAC Name3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)sc4cc6ccccc6cc45)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H40N2OS/c1-3-13-41(14-4-1)43-23-27-50(28-24-43)64(52-30-32-60-57(40-52)55-21-11-12-22-59(55)65-60)54-35-48(47-26-31-56-58-36-45-17-9-10-18-46(45)37-62(58)66-61(56)38-47)34-53(39-54)63(49-19-5-2-6-20-49)51-29-25-42-15-7-8-16-44(42)33-51/h1-40H
InChIKeyXLXYVAFGLNXPEG-UHFFFAOYSA-N
XLogP18.53
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.08
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
5-bromo-3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552089
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 159702533
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine (CID 122552061) is 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3cc(-c4ccc5c(c4)sc4cc6ccccc6cc45)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is XLXYVAFGLNXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2OS/c1-3-13-41(14-4-1)43-23-27-50(28-24-43)64(52-30-32-60-57(40-52)55-21-11-12-22-59(55)65-60)54-35-48(47-26-31-56-58-36-45-17-9-10-18-46(45)37-62(58)66-61(56)38-47)34-53(39-54)63(49-19-5-2-6-20-49)51-29-25-42-15-7-8-16-44(42)33-51/h1-40H.
What are the key properties of 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 861.08 g/mol, XLogP of 18.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 122552061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).