10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine

C76H47N3O2S2 — CID 158698574

IUPAC10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine
SMILESc1ccc(N(c2cccc(-c3cc4c5cc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)c5sc4c4ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C76H47N3O2S2/c1-4-20-49(21-5-1)77(54-35-38-60-58-28-12-15-32-69(58)80-71(60)45-54)52-26-18-19-48(41-52)64-47-67-66-43-56(78(50-22-6-2-7-23-50)53-37-40-74-65(42-53)62-30-14-17-34-73(62)82-74)44-68(76(66)83-75(67)63-31-11-10-27-57(63)64)79(51-24-8-3-9-25-51)55-36-39-61-59-29-13-16-33-70(59)81-72(61)46-55/h1-47H
InChIKeyCAMFFLWKNZTMRB-UHFFFAOYSA-N
MW1098.37 g/mol
LogP23.45
Rot. Bonds10

About 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine

10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine (PubChem CID 158698574) has the molecular formula C76H47N3O2S2 and a molecular weight of 1098.37 g/mol. Its IUPAC name is 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine.

Molecular Properties

Compound Name10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine
PubChem CID158698574
Molecular FormulaC76H47N3O2S2
Molecular Weight1098.37 g/mol
Exact Mass1097.31
IUPAC Name10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine
SMILESc1ccc(N(c2cccc(-c3cc4c5cc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)c5sc4c4ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C76H47N3O2S2/c1-4-20-49(21-5-1)77(54-35-38-60-58-28-12-15-32-69(58)80-71(60)45-54)52-26-18-19-48(41-52)64-47-67-66-43-56(78(50-22-6-2-7-23-50)53-37-40-74-65(42-53)62-30-14-17-34-73(62)82-74)44-68(76(66)83-75(67)63-31-11-10-27-57(63)64)79(51-24-8-3-9-25-51)55-36-39-61-59-29-13-16-33-70(59)81-72(61)46-55/h1-47H
InChIKeyCAMFFLWKNZTMRB-UHFFFAOYSA-N
XLogP23.45
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.37
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine with MolForge

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Related Compounds

N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 160969253
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
CID 129194386
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
N,N-bis(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N,N-bis(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine
CID 165033470
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-(2-phenyldibenzothiophen-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-4-(4-phenylphenyl)aniline;4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 163873163

Frequently Asked Questions

What is the IUPAC name of 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine?
The IUPAC name of 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine (CID 158698574) is 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine.
What is the SMILES notation for 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine?
The canonical SMILES for 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine is c1ccc(N(c2cccc(-c3cc4c5cc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)c5sc4c4ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine?
The InChIKey is CAMFFLWKNZTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H47N3O2S2/c1-4-20-49(21-5-1)77(54-35-38-60-58-28-12-15-32-69(58)80-71(60)45-54)52-26-18-19-48(41-52)64-47-67-66-43-56(78(50-22-6-2-7-23-50)53-37-40-74-65(42-53)62-30-14-17-34-73(62)82-74)44-68(76(66)83-75(67)63-31-11-10-27-57(63)64)79(51-24-8-3-9-25-51)55-36-39-61-59-29-13-16-33-70(59)81-72(61)46-55/h1-47H.
What are the key properties of 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine?
10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine has a molecular weight of 1098.37 g/mol, XLogP of 23.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine is sourced from PubChem (CID 158698574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).