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

C60H39NO — CID 169062439

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6c5oc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-17-41(18-4-1)58-53-28-10-9-26-50(53)51-35-34-47(39-55(51)59(58)42-19-5-2-6-20-42)45-23-14-25-49(38-45)61(56-30-15-29-54-52-27-11-12-31-57(52)62-60(54)56)48-24-13-22-44(37-48)46-33-32-40-16-7-8-21-43(40)36-46/h1-39H
InChIKeyCRIHEKBDHWRMKG-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

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

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 169062439) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
PubChem CID169062439
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6c5oc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-17-41(18-4-1)58-53-28-10-9-26-50(53)51-35-34-47(39-55(51)59(58)42-19-5-2-6-20-42)45-23-14-25-49(38-45)61(56-30-15-29-54-52-27-11-12-31-57(52)62-60(54)56)48-24-13-22-44(37-48)46-33-32-40-16-7-8-21-43(40)36-46/h1-39H
InChIKeyCRIHEKBDHWRMKG-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-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 169064275
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
CID 169063678
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169063295
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
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-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine (CID 169062439) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6c5oc5ccccc56)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is CRIHEKBDHWRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-17-41(18-4-1)58-53-28-10-9-26-50(53)51-35-34-47(39-55(51)59(58)42-19-5-2-6-20-42)45-23-14-25-49(38-45)61(56-30-15-29-54-52-27-11-12-31-57(52)62-60(54)56)48-24-13-22-44(37-48)46-33-32-40-16-7-8-21-43(40)36-46/h1-39H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 169062439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).