N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine

C52H33NO — CID 167324321

IUPACN-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H33NO/c1-2-12-36-31-38(24-23-34(36)11-1)37-13-9-14-41(32-37)53(50-21-10-20-48-47-19-7-8-22-51(47)54-52(48)50)40-28-25-35(26-29-40)39-27-30-46-44-17-4-3-15-42(44)43-16-5-6-18-45(43)49(46)33-39/h1-33H
InChIKeyZXDYUVZESQMTMV-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine

N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 167324321) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
PubChem CID167324321
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H33NO/c1-2-12-36-31-38(24-23-34(36)11-1)37-13-9-14-41(32-37)53(50-21-10-20-48-47-19-7-8-22-51(47)54-52(48)50)40-28-25-35(26-29-40)39-27-30-46-44-17-4-3-15-42(44)43-16-5-6-18-45(43)49(46)33-39/h1-33H
InChIKeyZXDYUVZESQMTMV-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-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254489
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine (CID 167324321) is N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is ZXDYUVZESQMTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-12-36-31-38(24-23-34(36)11-1)37-13-9-14-41(32-37)53(50-21-10-20-48-47-19-7-8-22-51(47)54-52(48)50)40-28-25-35(26-29-40)39-27-30-46-44-17-4-3-15-42(44)43-16-5-6-18-45(43)49(46)33-39/h1-33H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine?
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-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-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167324321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).