N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C54H35NO — CID 169007531

IUPACN-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-14-36(15-3-1)37-28-31-41(32-29-37)55(51-26-13-27-52-53(51)49-33-30-38-16-4-7-22-45(38)54(49)56-52)42-19-12-18-39(34-42)43-21-8-9-24-47(43)50-35-40-17-5-6-20-44(40)46-23-10-11-25-48(46)50/h1-35H
InChIKeyNMWSUAABFXAVFP-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 169007531) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID169007531
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-14-36(15-3-1)37-28-31-41(32-29-37)55(51-26-13-27-52-53(51)49-33-30-38-16-4-7-22-45(38)54(49)56-52)42-19-12-18-39(34-42)43-21-8-9-24-47(43)50-35-40-17-5-6-20-44(40)46-23-10-11-25-48(46)50/h1-35H
InChIKeyNMWSUAABFXAVFP-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738046
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738106
N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170140625
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737637
N-(4-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167330723

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 169007531) is N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4-c4cc5ccccc5c5ccccc45)c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1.
What is the InChIKey of N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is NMWSUAABFXAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-14-36(15-3-1)37-28-31-41(32-29-37)55(51-26-13-27-52-53(51)49-33-30-38-16-4-7-22-45(38)54(49)56-52)42-19-12-18-39(34-42)43-21-8-9-24-47(43)50-35-40-17-5-6-20-44(40)46-23-10-11-25-48(46)50/h1-35H.
What are the key properties of N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 169007531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).