2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine

C82H48N2O4 — CID 89254502

IUPAC2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
SMILESc1ccc2cc(-c3c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc34)ccc2c1
InChIInChI=1S/C82H48N2O4/c1-3-15-51-41-53(27-25-49(51)13-1)81-69-39-33-56(84(59-31-37-67-63-19-7-11-23-75(63)87-79(67)47-59)60-32-38-68-64-20-8-12-24-76(64)88-80(68)48-60)44-72(69)82(54-28-26-50-14-2-4-16-52(50)42-54)70-40-34-55(43-71(70)81)83(57-29-35-65-61-17-5-9-21-73(61)85-77(65)45-57)58-30-36-66-62-18-6-10-22-74(62)86-78(66)46-58/h1-48H
InChIKeyKZPXWLIZDQIPAD-UHFFFAOYSA-N
MW1125.30 g/mol
LogP24.17
Rot. Bonds8

About 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine

2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 89254502) 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-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
PubChem CID89254502
Molecular FormulaC82H48N2O4
Molecular Weight1125.30 g/mol
Exact Mass1124.36
IUPAC Name2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
SMILESc1ccc2cc(-c3c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc34)ccc2c1
InChIInChI=1S/C82H48N2O4/c1-3-15-51-41-53(27-25-49(51)13-1)81-69-39-33-56(84(59-31-37-67-63-19-7-11-23-75(63)87-79(67)47-59)60-32-38-68-64-20-8-12-24-76(64)88-80(68)48-60)44-72(69)82(54-28-26-50-14-2-4-16-52(50)42-54)70-40-34-55(43-71(70)81)83(57-29-35-65-61-17-5-9-21-73(61)85-77(65)45-57)58-30-36-66-62-18-6-10-22-74(62)86-78(66)46-58/h1-48H
InChIKeyKZPXWLIZDQIPAD-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-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 169064275
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine (CID 89254502) is 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-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-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine is c1ccc2cc(-c3c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc34)ccc2c1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
The InChIKey is KZPXWLIZDQIPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N2O4/c1-3-15-51-41-53(27-25-49(51)13-1)81-69-39-33-56(84(59-31-37-67-63-19-7-11-23-75(63)87-79(67)47-59)60-32-38-68-64-20-8-12-24-76(64)88-80(68)48-60)44-72(69)82(54-28-26-50-14-2-4-16-52(50)42-54)70-40-34-55(43-71(70)81)83(57-29-35-65-61-17-5-9-21-73(61)85-77(65)45-57)58-30-36-66-62-18-6-10-22-74(62)86-78(66)46-58/h1-48H.
What are the key properties of 2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine?
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-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-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 89254502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).