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

C60H39NO — CID 169061751

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccc6oc7ccccc7c6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-15-42(16-4-1)59-54-24-10-9-22-51(54)52-34-30-47(38-56(52)60(59)43-17-5-2-6-18-43)41-28-31-48(32-29-41)61(50-33-35-58-55(39-50)53-23-11-12-25-57(53)62-58)49-21-13-20-45(37-49)46-27-26-40-14-7-8-19-44(40)36-46/h1-39H
InChIKeyFHAALIDWTKDAPQ-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 169061751) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
PubChem CID169061751
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccc6oc7ccccc7c6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H39NO/c1-3-15-42(16-4-1)59-54-24-10-9-22-51(54)52-34-30-47(38-56(52)60(59)43-17-5-2-6-18-43)41-28-31-48(32-29-41)61(50-33-35-58-55(39-50)53-23-11-12-25-57(53)62-58)49-21-13-20-45(37-49)46-27-26-40-14-7-8-19-44(40)36-46/h1-39H
InChIKeyFHAALIDWTKDAPQ-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 169064275
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535007
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063947

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine (CID 169061751) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5ccc6oc7ccccc7c6c5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The InChIKey is FHAALIDWTKDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-15-42(16-4-1)59-54-24-10-9-22-51(54)52-34-30-47(38-56(52)60(59)43-17-5-2-6-18-43)41-28-31-48(32-29-41)61(50-33-35-58-55(39-50)53-23-11-12-25-57(53)62-58)49-21-13-20-45(37-49)46-27-26-40-14-7-8-19-44(40)36-46/h1-39H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 169061751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).