N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine

C60H39NO — CID 176820707

IUPACN-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H39NO/c1-3-15-40(16-4-1)45-32-35-49(55(39-45)42-17-5-2-6-18-42)44-29-33-46(34-30-44)61(56-27-14-26-50-48-23-10-8-20-43(48)31-36-52(50)56)57-38-37-53(51-25-13-21-41-19-7-9-22-47(41)51)60-59(57)54-24-11-12-28-58(54)62-60/h1-39H
InChIKeyGKMQYZGMNPXRRE-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine

N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine (PubChem CID 176820707) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
PubChem CID176820707
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H39NO/c1-3-15-40(16-4-1)45-32-35-49(55(39-45)42-17-5-2-6-18-42)44-29-33-46(34-30-44)61(56-27-14-26-50-48-23-10-8-20-43(48)31-36-52(50)56)57-38-37-53(51-25-13-21-41-19-7-9-22-47(41)51)60-59(57)54-24-11-12-28-58(54)62-60/h1-39H
InChIKeyGKMQYZGMNPXRRE-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-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-phenanthren-1-yl-4-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820432
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
CID 176821012
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820966
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738107
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
N-(2,5-diphenylphenyl)-N-phenanthren-1-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820901

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine?
The IUPAC name of N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine (CID 176820707) is N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine?
The canonical SMILES for N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4ccc4ccccc45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine?
The InChIKey is GKMQYZGMNPXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-3-15-40(16-4-1)45-32-35-49(55(39-45)42-17-5-2-6-18-42)44-29-33-46(34-30-44)61(56-27-14-26-50-48-23-10-8-20-43(48)31-36-52(50)56)57-38-37-53(51-25-13-21-41-19-7-9-22-47(41)51)60-59(57)54-24-11-12-28-58(54)62-60/h1-39H.
What are the key properties of N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine?
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-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-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine is sourced from PubChem (CID 176820707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).