N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine

C56H37NO — CID 176821323

IUPACN-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)39-27-29-43(30-28-39)50-35-36-52(54-51-23-12-13-26-53(51)58-56(50)54)57(45-33-34-47-44(37-45)32-31-42-21-10-11-22-46(42)47)55-48(40-17-6-2-7-18-40)24-14-25-49(55)41-19-8-3-9-20-41/h1-37H
InChIKeyACDDLAXWJAAGFU-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine

N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176821323) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176821323
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)39-27-29-43(30-28-39)50-35-36-52(54-51-23-12-13-26-53(51)58-56(50)54)57(45-33-34-47-44(37-45)32-31-42-21-10-11-22-46(42)47)55-48(40-17-6-2-7-18-40)24-14-25-49(55)41-19-8-3-9-20-41/h1-37H
InChIKeyACDDLAXWJAAGFU-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-phenanthren-2-yl-N-phenanthren-4-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821172
N-(2,4-diphenylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820607
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821192
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine (CID 176821323) is N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is ACDDLAXWJAAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-15-38(16-5-1)39-27-29-43(30-28-39)50-35-36-52(54-51-23-12-13-26-53(51)58-56(50)54)57(45-33-34-47-44(37-45)32-31-42-21-10-11-22-46(42)47)55-48(40-17-6-2-7-18-40)24-14-25-49(55)41-19-8-3-9-20-41/h1-37H.
What are the key properties of N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176821323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).