N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine

C60H37NOS — CID 176820484

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5ccc6ccccc6c5c4)c4oc5ccccc5c34)c3c2sc2ccccc23)cc1
InChIInChI=1S/C60H37NOS/c1-2-13-40(14-3-1)48-32-33-50(58-52-19-9-11-21-56(52)63-60(48)58)49-34-35-54(59-57(49)51-18-8-10-20-55(51)62-59)61(46-31-28-42-24-23-41-15-6-7-17-47(41)53(42)37-46)45-29-26-39(27-30-45)44-25-22-38-12-4-5-16-43(38)36-44/h1-37H
InChIKeyUFXGNEQIABUMDF-UHFFFAOYSA-N
MW820.03 g/mol
LogP17.88
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine

N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine (PubChem CID 176820484) has the molecular formula C60H37NOS and a molecular weight of 820.03 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
PubChem CID176820484
Molecular FormulaC60H37NOS
Molecular Weight820.03 g/mol
Exact Mass819.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5ccc6ccccc6c5c4)c4oc5ccccc5c34)c3c2sc2ccccc23)cc1
InChIInChI=1S/C60H37NOS/c1-2-13-40(14-3-1)48-32-33-50(58-52-19-9-11-21-56(52)63-60(48)58)49-34-35-54(59-57(49)51-18-8-10-20-55(51)62-59)61(46-31-28-42-24-23-41-15-6-7-17-47(41)53(42)37-46)45-29-26-39(27-30-45)44-25-22-38-12-4-5-16-43(38)36-44/h1-37H
InChIKeyUFXGNEQIABUMDF-UHFFFAOYSA-N
XLogP17.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.03
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-yl-1-phenyldibenzofuran-4-amine
CID 168809995
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
N-(4-dibenzothiophen-1-ylphenyl)-N-phenanthren-3-yl-4-phenyldibenzofuran-1-amine
CID 176820910
N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176821261
N-phenanthren-3-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820620
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435269
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847999
N,N-di(phenanthren-3-yl)-4-phenyldibenzothiophen-1-amine
CID 176821444
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 168809808

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine (CID 176820484) is N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5ccc6ccccc6c5c4)c4oc5ccccc5c34)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
The InChIKey is UFXGNEQIABUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NOS/c1-2-13-40(14-3-1)48-32-33-50(58-52-19-9-11-21-56(52)63-60(48)58)49-34-35-54(59-57(49)51-18-8-10-20-55(51)62-59)61(46-31-28-42-24-23-41-15-6-7-17-47(41)53(42)37-46)45-29-26-39(27-30-45)44-25-22-38-12-4-5-16-43(38)36-44/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine has a molecular weight of 820.03 g/mol, XLogP of 17.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine is sourced from PubChem (CID 176820484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).