9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

C56H37NO — CID 171417635

IUPAC9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3cccc(-c5ccc6c(ccc7ccccc76)c5)c34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)39-24-29-45(30-25-39)57(46-31-26-42(27-32-46)50-19-10-9-18-48(50)40-14-5-2-6-15-40)47-33-35-53-55(37-47)58-54-21-11-20-52(56(53)54)44-28-34-51-43(36-44)23-22-41-16-7-8-17-49(41)51/h1-37H
InChIKeyCEWVZVBPFMUAKE-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 171417635) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Name9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID171417635
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3cccc(-c5ccc6c(ccc7ccccc76)c5)c34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-12-38(13-4-1)39-24-29-45(30-25-39)57(46-31-26-42(27-32-46)50-19-10-9-18-48(50)40-14-5-2-6-15-40)47-33-35-53-55(37-47)58-54-21-11-20-52(56(53)54)44-28-34-51-43(36-44)23-22-41-16-7-8-17-49(41)51/h1-37H
InChIKeyCEWVZVBPFMUAKE-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-(4-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810252
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810427
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
CID 176810219
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(3-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 176810248
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(4-phenanthren-1-ylphenyl)aniline
CID 176810245
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 171417635) is 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)oc3cccc(-c5ccc6c(ccc7ccccc76)c5)c34)cc2)cc1.
What is the InChIKey of 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is CEWVZVBPFMUAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-12-38(13-4-1)39-24-29-45(30-25-39)57(46-31-26-42(27-32-46)50-19-10-9-18-48(50)40-14-5-2-6-15-40)47-33-35-53-55(37-47)58-54-21-11-20-52(56(53)54)44-28-34-51-43(36-44)23-22-41-16-7-8-17-49(41)51/h1-37H.
What are the key properties of 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-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 9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171417635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).