N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine

C48H33NO — CID 166566529

IUPACN-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine
SMILESC1=Cc2c(oc3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4-c4cccc5ccccc45)cccc23)CC1
InChIInChI=1S/C48H33NO/c1-3-16-36-32(13-1)15-11-22-39(36)41-20-7-9-24-45(41)49(46-25-12-23-43-42-21-8-10-26-47(42)50-48(43)46)35-29-27-33(28-30-35)44-31-34-14-2-4-17-37(34)38-18-5-6-19-40(38)44/h1-9,11-25,27-31H,10,26H2
InChIKeyCPFDKDACWBPUQO-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.66
Rot. Bonds5

About N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine

N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine (PubChem CID 166566529) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine
PubChem CID166566529
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine
SMILESC1=Cc2c(oc3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4-c4cccc5ccccc45)cccc23)CC1
InChIInChI=1S/C48H33NO/c1-3-16-36-32(13-1)15-11-22-39(36)41-20-7-9-24-45(41)49(46-25-12-23-43-42-21-8-10-26-47(42)50-48(43)46)35-29-27-33(28-30-35)44-31-34-14-2-4-17-37(34)38-18-5-6-19-40(38)44/h1-9,11-25,27-31H,10,26H2
InChIKeyCPFDKDACWBPUQO-UHFFFAOYSA-N
XLogP13.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.66
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-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine
CID 167144656
12-N-dibenzofuran-4-yl-6-N-(6,7-dihydrodibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 131993922
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-6,7-dihydrodibenzofuran-3-amine
CID 142406058
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167276945
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170030751
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine?
The IUPAC name of N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine (CID 166566529) is N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine?
The canonical SMILES for N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine is C1=Cc2c(oc3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4-c4cccc5ccccc45)cccc23)CC1.
What is the InChIKey of N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine?
The InChIKey is CPFDKDACWBPUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-16-36-32(13-1)15-11-22-39(36)41-20-7-9-24-45(41)49(46-25-12-23-43-42-21-8-10-26-47(42)50-48(43)46)35-29-27-33(28-30-35)44-31-34-14-2-4-17-37(34)38-18-5-6-19-40(38)44/h1-9,11-25,27-31H,10,26H2.
What are the key properties of N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine?
N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine has a molecular weight of 639.80 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydrodibenzofuran-4-amine is sourced from PubChem (CID 166566529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).