4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine

C50H31NO — CID 176821108

IUPAC4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4cc5ccccc5c5ccccc45)c4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C50H31NO/c1-4-17-35-32(13-1)16-11-23-40(35)43-29-30-46(49-44-22-9-10-26-48(44)52-50(43)49)51(45-25-12-24-39-36-18-5-2-14-33(36)27-28-42(39)45)47-31-34-15-3-6-19-37(34)38-20-7-8-21-41(38)47/h1-31H
InChIKeyBQMNAZONOMTGFJ-UHFFFAOYSA-N
MW661.80 g/mol
LogP14.49
Rot. Bonds4

About 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine

4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine (PubChem CID 176821108) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
PubChem CID176821108
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC Name4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4cc5ccccc5c5ccccc45)c4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C50H31NO/c1-4-17-35-32(13-1)16-11-23-40(35)43-29-30-46(49-44-22-9-10-26-48(44)52-50(43)49)51(45-25-12-24-39-36-18-5-2-14-33(36)27-28-42(39)45)47-31-34-15-3-6-19-37(34)38-20-7-8-21-41(38)47/h1-31H
InChIKeyBQMNAZONOMTGFJ-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 514.49
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

4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
CID 176821012
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
N-phenanthren-4-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820452
N-dibenzofuran-1-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821060
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167277676

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine (CID 176821108) is 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine is c1ccc2c(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4cc5ccccc5c5ccccc45)c4c3oc3ccccc34)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The InChIKey is BQMNAZONOMTGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-4-17-35-32(13-1)16-11-23-40(35)43-29-30-46(49-44-22-9-10-26-48(44)52-50(43)49)51(45-25-12-24-39-36-18-5-2-14-33(36)27-28-42(39)45)47-31-34-15-3-6-19-37(34)38-20-7-8-21-41(38)47/h1-31H.
What are the key properties of 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine?
4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine has a molecular weight of 661.80 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-phenanthren-1-yl-N-phenanthren-9-yldibenzofuran-1-amine is sourced from PubChem (CID 176821108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).