9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine

C70H44N2O2 — CID 89254489

IUPAC9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
SMILESc1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)c3c2)cc1
InChIInChI=1S/C70H44N2O2/c1-3-17-45(18-4-1)51-35-39-57-61(43-51)67(71(53-37-33-47-21-7-9-23-49(47)41-53)63-29-15-27-59-55-25-11-13-31-65(55)73-69(59)63)58-40-36-52(46-19-5-2-6-20-46)44-62(58)68(57)72(54-38-34-48-22-8-10-24-50(48)42-54)64-30-16-28-60-56-26-12-14-32-66(56)74-70(60)64/h1-44H
InChIKeyUKZUYQXNPOLAAF-UHFFFAOYSA-N
MW945.13 g/mol
LogP20.37
Rot. Bonds8

About 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine

9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine (PubChem CID 89254489) has the molecular formula C70H44N2O2 and a molecular weight of 945.13 g/mol. Its IUPAC name is 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
PubChem CID89254489
Molecular FormulaC70H44N2O2
Molecular Weight945.13 g/mol
Exact Mass944.34
IUPAC Name9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
SMILESc1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)c3c2)cc1
InChIInChI=1S/C70H44N2O2/c1-3-17-45(18-4-1)51-35-39-57-61(43-51)67(71(53-37-33-47-21-7-9-23-49(47)41-53)63-29-15-27-59-55-25-11-13-31-65(55)73-69(59)63)58-40-36-52(46-19-5-2-6-20-46)44-62(58)68(57)72(54-38-34-48-22-8-10-24-50(48)42-54)64-30-16-28-60-56-26-12-14-32-66(56)74-70(60)64/h1-44H
InChIKeyUKZUYQXNPOLAAF-UHFFFAOYSA-N
XLogP20.37
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.13
LogP ≤ 520.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 89254658
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254148
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine (CID 89254489) is 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine is c1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4cccc5c4oc4ccccc45)c3c2)cc1.
What is the InChIKey of 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
The InChIKey is UKZUYQXNPOLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2/c1-3-17-45(18-4-1)51-35-39-57-61(43-51)67(71(53-37-33-47-21-7-9-23-49(47)41-53)63-29-15-27-59-55-25-11-13-31-65(55)73-69(59)63)58-40-36-52(46-19-5-2-6-20-46)44-62(58)68(57)72(54-38-34-48-22-8-10-24-50(48)42-54)64-30-16-28-60-56-26-12-14-32-66(56)74-70(60)64/h1-44H.
What are the key properties of 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine has a molecular weight of 945.13 g/mol, XLogP of 20.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 89254489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).