N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine

C42H27NO — CID 167324318

IUPACN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cc3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C42H27NO/c1-3-17-32-28(12-1)14-10-22-33(32)29-15-9-16-31(26-29)43(38-23-11-25-41-42(38)37-21-7-8-24-40(37)44-41)39-27-30-13-2-4-18-34(30)35-19-5-6-20-36(35)39/h1-27H
InChIKeyPDLPVNQBYREURH-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine

N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine (PubChem CID 167324318) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
PubChem CID167324318
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2cc3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C42H27NO/c1-3-17-32-28(12-1)14-10-22-33(32)29-15-9-16-31(26-29)43(38-23-11-25-41-42(38)37-21-7-8-24-40(37)44-41)39-27-30-13-2-4-18-34(30)35-19-5-6-20-36(35)39/h1-27H
InChIKeyPDLPVNQBYREURH-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
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-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 170535069
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790713
N-dibenzofuran-1-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 155305684
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-(3-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 167329983
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine (CID 167324318) is N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine is c1cc(-c2cccc3ccccc23)cc(N(c2cc3ccccc3c3ccccc23)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
The InChIKey is PDLPVNQBYREURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-17-32-28(12-1)14-10-22-33(32)29-15-9-16-31(26-29)43(38-23-11-25-41-42(38)37-21-7-8-24-40(37)44-41)39-27-30-13-2-4-18-34(30)35-19-5-6-20-36(35)39/h1-27H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine is sourced from PubChem (CID 167324318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).