9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine

C108H64N2O2S2 — CID 155305668

IUPAC9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2c(-c3ccc4cc(-c5cccc6oc7c(N(c8ccc(-c9cccc%10sc%11ccccc%11c9%10)cc8)c8c(-c9cccc%10ccccc9%10)c9ccccc9c9ccccc89)cccc7c56)ccc4c3)c3ccccc3c3ccccc23)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C108H64N2O2S2/c1-2-28-74-65(24-1)25-18-43-84(74)103-86-36-8-4-30-79(86)81-32-6-10-38-88(81)105(103)109(72-60-58-66(59-61-72)75-41-23-53-99-102(75)91-39-13-16-52-98(91)113-99)94-48-21-46-92-101-76(40-22-50-96(101)112-107(92)94)70-56-54-68-63-71(57-55-67(68)62-70)100-85-35-7-3-29-78(85)80-31-5-9-37-87(80)104(100)110(93-47-20-44-89-82-33-11-14-49-95(82)111-106(89)93)73-27-17-26-69(64-73)77-42-19-45-90-83-34-12-15-51-97(83)114-108(77)90/h1-64H
InChIKeyUUCGODUZKKOOSH-UHFFFAOYSA-N
MW1485.85 g/mol
LogP32.42
Rot. Bonds11

About 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine

9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine (PubChem CID 155305668) has the molecular formula C108H64N2O2S2 and a molecular weight of 1485.85 g/mol. Its IUPAC name is 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine
PubChem CID155305668
Molecular FormulaC108H64N2O2S2
Molecular Weight1485.85 g/mol
Exact Mass1484.44
IUPAC Name9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine
SMILESc1cc(-c2cccc3c2sc2ccccc23)cc(N(c2c(-c3ccc4cc(-c5cccc6oc7c(N(c8ccc(-c9cccc%10sc%11ccccc%11c9%10)cc8)c8c(-c9cccc%10ccccc9%10)c9ccccc9c9ccccc89)cccc7c56)ccc4c3)c3ccccc3c3ccccc23)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C108H64N2O2S2/c1-2-28-74-65(24-1)25-18-43-84(74)103-86-36-8-4-30-79(86)81-32-6-10-38-88(81)105(103)109(72-60-58-66(59-61-72)75-41-23-53-99-102(75)91-39-13-16-52-98(91)113-99)94-48-21-46-92-101-76(40-22-50-96(101)112-107(92)94)70-56-54-68-63-71(57-55-67(68)62-70)100-85-35-7-3-29-78(85)80-31-5-9-37-87(80)104(100)110(93-47-20-44-89-82-33-11-14-49-95(82)111-106(89)93)73-27-17-26-69(64-73)77-42-19-45-90-83-34-12-15-51-97(83)114-108(77)90/h1-64H
InChIKeyUUCGODUZKKOOSH-UHFFFAOYSA-N
XLogP32.42
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001485.85
LogP ≤ 532.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304528
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 163779199
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(4-dibenzofuran-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzothiophen-1-amine
CID 155303954
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-(3-dibenzothiophen-4-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234647
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163970768
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
3-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939164
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864

Frequently Asked Questions

What is the IUPAC name of 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine?
The IUPAC name of 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine (CID 155305668) is 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine?
The canonical SMILES for 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine is c1cc(-c2cccc3c2sc2ccccc23)cc(N(c2c(-c3ccc4cc(-c5cccc6oc7c(N(c8ccc(-c9cccc%10sc%11ccccc%11c9%10)cc8)c8c(-c9cccc%10ccccc9%10)c9ccccc9c9ccccc89)cccc7c56)ccc4c3)c3ccccc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine?
The InChIKey is UUCGODUZKKOOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H64N2O2S2/c1-2-28-74-65(24-1)25-18-43-84(74)103-86-36-8-4-30-79(86)81-32-6-10-38-88(81)105(103)109(72-60-58-66(59-61-72)75-41-23-53-99-102(75)91-39-13-16-52-98(91)113-99)94-48-21-46-92-101-76(40-22-50-96(101)112-107(92)94)70-56-54-68-63-71(57-55-67(68)62-70)100-85-35-7-3-29-78(85)80-31-5-9-37-87(80)104(100)110(93-47-20-44-89-82-33-11-14-49-95(82)111-106(89)93)73-27-17-26-69(64-73)77-42-19-45-90-83-34-12-15-51-97(83)114-108(77)90/h1-64H.
What are the key properties of 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine?
9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine has a molecular weight of 1485.85 g/mol, XLogP of 32.42, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 155305668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).