N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C52H33NO — CID 170136843

IUPACN-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)c4cccc5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-3-14-40-34(11-1)13-9-19-41(40)36-23-28-38(29-24-36)53(49-20-10-22-51-52(49)46-18-7-8-21-50(46)54-51)39-30-25-37(26-31-39)47-33-48-42-15-4-2-12-35(42)27-32-45(48)43-16-5-6-17-44(43)47/h1-33H
InChIKeyVRSPBNZTJGXZST-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 170136843) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID170136843
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)c4cccc5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-3-14-40-34(11-1)13-9-19-41(40)36-23-28-38(29-24-36)53(49-20-10-22-51-52(49)46-18-7-8-21-50(46)54-51)39-30-25-37(26-31-39)47-33-48-42-15-4-2-12-35(42)27-32-45(48)43-16-5-6-17-44(43)47/h1-33H
InChIKeyVRSPBNZTJGXZST-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-triphenylen-2-yldibenzofuran-1-amine
CID 166845878
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(2-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810507
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenanthren-1-ylaniline
CID 176810443
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-phenanthren-2-ylaniline
CID 170541993

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 170136843) is N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4)c4cccc5oc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is VRSPBNZTJGXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-3-14-40-34(11-1)13-9-19-41(40)36-23-28-38(29-24-36)53(49-20-10-22-51-52(49)46-18-7-8-21-50(46)54-51)39-30-25-37(26-31-39)47-33-48-42-15-4-2-12-35(42)27-32-45(48)43-16-5-6-17-44(43)47/h1-33H.
What are the key properties of N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-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 N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170136843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).