4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine

C52H33NO — CID 176820794

IUPAC4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-4-16-41-34(11-1)14-9-20-43(41)37-25-27-39(28-26-37)53(40-29-30-45-38(33-40)24-23-36-13-3-5-17-42(36)45)49-32-31-47(46-21-10-15-35-12-2-6-18-44(35)46)52-51(49)48-19-7-8-22-50(48)54-52/h1-33H
InChIKeyPGQSZEIZSKRBPT-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine

4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine (PubChem CID 176820794) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
PubChem CID176820794
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-4-16-41-34(11-1)14-9-20-43(41)37-25-27-39(28-26-37)53(40-29-30-45-38(33-40)24-23-36-13-3-5-17-42(36)45)49-32-31-47(46-21-10-15-35-12-2-6-18-44(35)46)52-51(49)48-19-7-8-22-50(48)54-52/h1-33H
InChIKeyPGQSZEIZSKRBPT-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
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-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine (CID 176820794) is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine is c1ccc2c(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine?
The InChIKey is PGQSZEIZSKRBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-4-16-41-34(11-1)14-9-20-43(41)37-25-27-39(28-26-37)53(40-29-30-45-38(33-40)24-23-36-13-3-5-17-42(36)45)49-32-31-47(46-21-10-15-35-12-2-6-18-44(35)46)52-51(49)48-19-7-8-22-50(48)54-52/h1-33H.
What are the key properties of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine?
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 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-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine is sourced from PubChem (CID 176820794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).