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

C60H39NO — CID 169064275

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccc6c(c5)oc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-16-41(17-4-1)59-55-27-10-9-25-51(55)52-33-31-47(38-56(52)60(59)42-18-5-2-6-19-42)45-22-14-24-49(37-45)61(50-32-34-54-53-26-11-12-28-57(53)62-58(54)39-50)48-23-13-21-44(36-48)46-30-29-40-15-7-8-20-43(40)35-46/h1-39H
InChIKeyIWOIPYDDWIMGPW-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-3-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 169064275) 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-3-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
PubChem CID169064275
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-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccc6c(c5)oc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-16-41(17-4-1)59-55-27-10-9-25-51(55)52-33-31-47(38-56(52)60(59)42-18-5-2-6-19-42)45-22-14-24-49(37-45)61(50-32-34-54-53-26-11-12-28-57(53)62-58(54)39-50)48-23-13-21-44(36-48)46-30-29-40-15-7-8-20-43(40)35-46/h1-39H
InChIKeyIWOIPYDDWIMGPW-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-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-2-amine
CID 169063678
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535007
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine (CID 169064275) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccc6c(c5)oc5ccccc56)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is IWOIPYDDWIMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-16-41(17-4-1)59-55-27-10-9-25-51(55)52-33-31-47(38-56(52)60(59)42-18-5-2-6-19-42)45-22-14-24-49(37-45)61(50-32-34-54-53-26-11-12-28-57(53)62-58(54)39-50)48-23-13-21-44(36-48)46-30-29-40-15-7-8-20-43(40)35-46/h1-39H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-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-3-amine is sourced from PubChem (CID 169064275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).