2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine

C82H48N2O4 — CID 89254530

IUPAC2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
SMILESc1ccc2cc(-c3c4ccc(N(c5cccc6oc7ccccc7c56)c5cccc6oc7ccccc7c56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5cccc6oc7ccccc7c56)c5cccc6oc7ccccc7c56)cc34)ccc2c1
InChIInChI=1S/C82H48N2O4/c1-3-19-51-45-53(39-37-49(51)17-1)77-57-43-41-56(84(67-27-15-35-75-81(67)61-23-7-11-31-71(61)87-75)68-28-16-36-76-82(68)62-24-8-12-32-72(62)88-76)48-64(57)78(54-40-38-50-18-2-4-20-52(50)46-54)58-44-42-55(47-63(58)77)83(65-25-13-33-73-79(65)59-21-5-9-29-69(59)85-73)66-26-14-34-74-80(66)60-22-6-10-30-70(60)86-74/h1-48H
InChIKeyUPHFIRYGJZMIDJ-UHFFFAOYSA-N
MW1125.30 g/mol
LogP24.17
Rot. Bonds8

About 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine

2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 89254530) has the molecular formula C82H48N2O4 and a molecular weight of 1125.30 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
PubChem CID89254530
Molecular FormulaC82H48N2O4
Molecular Weight1125.30 g/mol
Exact Mass1124.36
IUPAC Name2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
SMILESc1ccc2cc(-c3c4ccc(N(c5cccc6oc7ccccc7c56)c5cccc6oc7ccccc7c56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5cccc6oc7ccccc7c56)c5cccc6oc7ccccc7c56)cc34)ccc2c1
InChIInChI=1S/C82H48N2O4/c1-3-19-51-45-53(39-37-49(51)17-1)77-57-43-41-56(84(67-27-15-35-75-81(67)61-23-7-11-31-71(61)87-75)68-28-16-36-76-82(68)62-24-8-12-32-72(62)88-76)48-64(57)78(54-40-38-50-18-2-4-20-52(50)46-54)58-44-42-55(47-63(58)77)83(65-25-13-33-73-79(65)59-21-5-9-29-69(59)85-73)66-26-14-34-74-80(66)60-22-6-10-30-70(60)86-74/h1-48H
InChIKeyUPHFIRYGJZMIDJ-UHFFFAOYSA-N
XLogP24.17
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.30
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254527
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 169064515
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine (CID 89254530) is 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine is c1ccc2cc(-c3c4ccc(N(c5cccc6oc7ccccc7c56)c5cccc6oc7ccccc7c56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5cccc6oc7ccccc7c56)c5cccc6oc7ccccc7c56)cc34)ccc2c1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
The InChIKey is UPHFIRYGJZMIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N2O4/c1-3-19-51-45-53(39-37-49(51)17-1)77-57-43-41-56(84(67-27-15-35-75-81(67)61-23-7-11-31-71(61)87-75)68-28-16-36-76-82(68)62-24-8-12-32-72(62)88-76)48-64(57)78(54-40-38-50-18-2-4-20-52(50)46-54)58-44-42-55(47-63(58)77)83(65-25-13-33-73-79(65)59-21-5-9-29-69(59)85-73)66-26-14-34-74-80(66)60-22-6-10-30-70(60)86-74/h1-48H.
What are the key properties of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 1125.30 g/mol, XLogP of 24.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 89254530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).