N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline

C60H37NO2 — CID 167329386

IUPACN-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C60H37NO2/c1-3-12-47-40(10-1)20-21-44-36-42(27-33-48(44)47)38-22-29-45(30-23-38)61(46-31-24-39(25-32-46)43-28-35-57-54(37-43)51-15-6-8-18-56(51)62-57)55-17-7-5-14-50(55)52-16-9-19-58-59(52)53-34-26-41-11-2-4-13-49(41)60(53)63-58/h1-37H
InChIKeyKYMHVTDYGXMPEU-UHFFFAOYSA-N
MW803.96 g/mol
LogP17.42
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline (PubChem CID 167329386) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
PubChem CID167329386
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C60H37NO2/c1-3-12-47-40(10-1)20-21-44-36-42(27-33-48(44)47)38-22-29-45(30-23-38)61(46-31-24-39(25-32-46)43-28-35-57-54(37-43)51-15-6-8-18-56(51)62-57)55-17-7-5-14-50(55)52-16-9-19-58-59(52)53-34-26-41-11-2-4-13-49(41)60(53)63-58/h1-37H
InChIKeyKYMHVTDYGXMPEU-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-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739178
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166939334
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330854
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167330258
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404
N-[4-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 166939205
N-(4-dibenzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738174

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline (CID 167329386) is N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c(-c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline?
The InChIKey is KYMHVTDYGXMPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-3-12-47-40(10-1)20-21-44-36-42(27-33-48(44)47)38-22-29-45(30-23-38)61(46-31-24-39(25-32-46)43-28-35-57-54(37-43)51-15-6-8-18-56(51)62-57)55-17-7-5-14-50(55)52-16-9-19-58-59(52)53-34-26-41-11-2-4-13-49(41)60(53)63-58/h1-37H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline 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-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline is sourced from PubChem (CID 167329386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).