N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine

C60H39NO — CID 169063678

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccc6ccccc6c5)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-17-41(18-4-1)58-54-28-10-9-26-51(54)52-35-33-45(39-56(52)59(58)42-19-5-2-6-20-42)44-22-13-24-47(37-44)61(49-34-32-40-16-7-8-21-43(40)36-49)48-25-14-23-46(38-48)50-29-15-30-55-53-27-11-12-31-57(53)62-60(50)55/h1-39H
InChIKeyUWQYBSNEVITEBB-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine (PubChem CID 169063678) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
PubChem CID169063678
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccc6ccccc6c5)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-17-41(18-4-1)58-54-28-10-9-26-51(54)52-35-33-45(39-56(52)59(58)42-19-5-2-6-20-42)44-22-13-24-47(37-44)61(49-34-32-40-16-7-8-21-43(40)36-49)48-25-14-23-46(38-48)50-29-15-30-55-53-27-11-12-31-57(53)62-60(50)55/h1-39H
InChIKeyUWQYBSNEVITEBB-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 169064275
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine (CID 169063678) is N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccc6ccccc6c5)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is UWQYBSNEVITEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-17-41(18-4-1)58-54-28-10-9-26-51(54)52-35-33-45(39-56(52)59(58)42-19-5-2-6-20-42)44-22-13-24-47(37-44)61(49-34-32-40-16-7-8-21-43(40)36-49)48-25-14-23-46(38-48)50-29-15-30-55-53-27-11-12-31-57(53)62-60(50)55/h1-39H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 169063678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).