2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine

C58H38N2O2 — CID 158058607

IUPAC2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3cc2N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C58H38N2O2/c1-5-19-39(20-6-1)49-37-44(59(42-23-9-3-10-24-42)52-31-17-29-47-45-27-13-15-33-55(45)61-57(47)52)35-41-36-54(51(38-50(41)49)40-21-7-2-8-22-40)60(43-25-11-4-12-26-43)53-32-18-30-48-46-28-14-16-34-56(46)62-58(48)53/h1-38H
InChIKeySAMKPDMNDUUADV-UHFFFAOYSA-N
MW794.95 g/mol
LogP16.91
Rot. Bonds8

About 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine

2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine (PubChem CID 158058607) has the molecular formula C58H38N2O2 and a molecular weight of 794.95 g/mol. Its IUPAC name is 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
PubChem CID158058607
Molecular FormulaC58H38N2O2
Molecular Weight794.95 g/mol
Exact Mass794.29
IUPAC Name2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3cc2N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C58H38N2O2/c1-5-19-39(20-6-1)49-37-44(59(42-23-9-3-10-24-42)52-31-17-29-47-45-27-13-15-33-55(45)61-57(47)52)35-41-36-54(51(38-50(41)49)40-21-7-2-8-22-40)60(43-25-11-4-12-26-43)53-32-18-30-48-46-28-14-16-34-56(46)62-58(48)53/h1-38H
InChIKeySAMKPDMNDUUADV-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

Analyze 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine with MolForge

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Related Compounds

N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
The IUPAC name of 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine (CID 158058607) is 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
The canonical SMILES for 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine is c1ccc(-c2cc3c(-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3cc2N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
The InChIKey is SAMKPDMNDUUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2/c1-5-19-39(20-6-1)49-37-44(59(42-23-9-3-10-24-42)52-31-17-29-47-45-27-13-15-33-55(45)61-57(47)52)35-41-36-54(51(38-50(41)49)40-21-7-2-8-22-40)60(43-25-11-4-12-26-43)53-32-18-30-48-46-28-14-16-34-56(46)62-58(48)53/h1-38H.
What are the key properties of 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-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 2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine is sourced from PubChem (CID 158058607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).