1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine

C58H38N2O2 — CID 159556461

IUPAC1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c3cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C58H38N2O2/c1-5-19-39(20-6-1)44-35-36-49(60(42-25-11-4-12-26-42)51-30-18-34-55-58(51)46-28-14-16-32-53(46)62-55)48-38-43(37-47(56(44)48)40-21-7-2-8-22-40)59(41-23-9-3-10-24-41)50-29-17-33-54-57(50)45-27-13-15-31-52(45)61-54/h1-38H
InChIKeyPQOMDLMRBOZRIA-UHFFFAOYSA-N
MW794.95 g/mol
LogP16.91
Rot. Bonds8

About 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine

1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine (PubChem CID 159556461) has the molecular formula C58H38N2O2 and a molecular weight of 794.95 g/mol. Its IUPAC name is 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine.

Molecular Properties

Compound Name1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine
PubChem CID159556461
Molecular FormulaC58H38N2O2
Molecular Weight794.95 g/mol
Exact Mass794.29
IUPAC Name1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c3cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C58H38N2O2/c1-5-19-39(20-6-1)44-35-36-49(60(42-25-11-4-12-26-42)51-30-18-34-55-58(51)46-28-14-16-32-53(46)62-55)48-38-43(37-47(56(44)48)40-21-7-2-8-22-40)59(41-23-9-3-10-24-41)50-29-17-33-54-57(50)45-27-13-15-31-52(45)61-54/h1-38H
InChIKeyPQOMDLMRBOZRIA-UHFFFAOYSA-N
XLogP16.91
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.95
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
CID 169063231
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331

Frequently Asked Questions

What is the IUPAC name of 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine?
The IUPAC name of 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine (CID 159556461) is 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine.
What is the SMILES notation for 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine?
The canonical SMILES for 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c3cc(N(c4ccccc4)c4cccc5oc6ccccc6c45)cc(-c4ccccc4)c23)cc1.
What is the InChIKey of 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine?
The InChIKey is PQOMDLMRBOZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2/c1-5-19-39(20-6-1)44-35-36-49(60(42-25-11-4-12-26-42)51-30-18-34-55-58(51)46-28-14-16-32-53(46)62-55)48-38-43(37-47(56(44)48)40-21-7-2-8-22-40)59(41-23-9-3-10-24-41)50-29-17-33-54-57(50)45-27-13-15-31-52(45)61-54/h1-38H.
What are the key properties of 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine?
1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine has a molecular weight of 794.95 g/mol, XLogP of 16.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine is sourced from PubChem (CID 159556461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).