N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

C52H33NO — CID 170137599

IUPACN-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4)c4ccc5oc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-3-11-43-35(8-1)10-7-14-44(43)37-18-25-41(26-19-37)53(42-27-31-52-50(33-42)49-13-5-6-15-51(49)54-52)40-23-16-34(17-24-40)38-21-28-46-39(32-38)22-30-47-45-12-4-2-9-36(45)20-29-48(46)47/h1-33H
InChIKeyWQSINMUPTHDZRG-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine

N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (PubChem CID 170137599) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
PubChem CID170137599
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4)c4ccc5oc6ccccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C52H33NO/c1-3-11-43-35(8-1)10-7-14-44(43)37-18-25-41(26-19-37)53(42-27-31-52-50(33-42)49-13-5-6-15-51(49)54-52)40-23-16-34(17-24-40)38-21-28-46-39(32-38)22-30-47-45-12-4-2-9-36(45)20-29-48(46)47/h1-33H
InChIKeyWQSINMUPTHDZRG-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-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
CID 176810219
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine (CID 170137599) is N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4)c4ccc5oc6ccccc6c5c4)cc3)cccc2c1.
What is the InChIKey of N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
The InChIKey is WQSINMUPTHDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-3-11-43-35(8-1)10-7-14-44(43)37-18-25-41(26-19-37)53(42-27-31-52-50(33-42)49-13-5-6-15-51(49)54-52)40-23-16-34(17-24-40)38-21-28-46-39(32-38)22-30-47-45-12-4-2-9-36(45)20-29-48(46)47/h1-33H.
What are the key properties of N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine?
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-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-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170137599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).