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

C60H37NO2 — CID 170666032

IUPACN-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc(-c3cccc4c3oc3ccccc34)c2-c2ccc3ccccc3c2)c(-c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C60H37NO2/c1-2-15-40-35-43(30-27-38(40)13-1)59-51(53-22-11-21-52-49-19-7-10-26-57(49)63-60(52)53)20-12-24-55(59)61(44-32-34-50-48-18-6-9-25-56(48)62-58(50)37-44)54-23-8-5-17-47(54)42-31-33-46-41(36-42)29-28-39-14-3-4-16-45(39)46/h1-37H
InChIKeyAYIMMFLNQZHUCK-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

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

N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 170666032) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine
PubChem CID170666032
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC NameN-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc(-c3cccc4c3oc3ccccc34)c2-c2ccc3ccccc3c2)c(-c2ccc3c(ccc4ccccc43)c2)c1
InChIInChI=1S/C60H37NO2/c1-2-15-40-35-43(30-27-38(40)13-1)59-51(53-22-11-21-52-49-19-7-10-26-57(49)63-60(52)53)20-12-24-55(59)61(44-32-34-50-48-18-6-9-25-56(48)62-58(50)37-44)54-23-8-5-17-47(54)42-31-33-46-41(36-42)29-28-39-14-3-4-16-45(39)46/h1-37H
InChIKeyAYIMMFLNQZHUCK-UHFFFAOYSA-N
XLogP17.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 517.42
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-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 167325549
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(2-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186614
2-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325381
N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
CID 174285658
N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine
CID 170665788
N-[3-naphthalen-2-yl-2-(6-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 177097122
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
CID 174275128
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine (CID 170666032) is N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc(-c3cccc4c3oc3ccccc34)c2-c2ccc3ccccc3c2)c(-c2ccc3c(ccc4ccccc43)c2)c1.
What is the InChIKey of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is AYIMMFLNQZHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-2-15-40-35-43(30-27-38(40)13-1)59-51(53-22-11-21-52-49-19-7-10-26-57(49)63-60(52)53)20-12-24-55(59)61(44-32-34-50-48-18-6-9-25-56(48)62-58(50)37-44)54-23-8-5-17-47(54)42-31-33-46-41(36-42)29-28-39-14-3-4-16-45(39)46/h1-37H.
What are the key properties of N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine?
N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 803.96 g/mol, XLogP of 17.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-N-(2-phenanthren-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170666032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).