9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine

C70H44N2O2 — CID 89254148

IUPAC9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
SMILESc1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C70H44N2O2/c1-3-15-45(16-4-1)51-29-35-61-63(41-51)69(71(53-31-27-47-19-7-9-21-49(47)39-53)55-33-37-59-57-23-11-13-25-65(57)73-67(59)43-55)62-36-30-52(46-17-5-2-6-18-46)42-64(62)70(61)72(54-32-28-48-20-8-10-22-50(48)40-54)56-34-38-60-58-24-12-14-26-66(58)74-68(60)44-56/h1-44H
InChIKeyDDRDVDZIGJHSSF-UHFFFAOYSA-N
MW945.13 g/mol
LogP20.37
Rot. Bonds8

About 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine

9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine (PubChem CID 89254148) has the molecular formula C70H44N2O2 and a molecular weight of 945.13 g/mol. Its IUPAC name is 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
PubChem CID89254148
Molecular FormulaC70H44N2O2
Molecular Weight945.13 g/mol
Exact Mass944.34
IUPAC Name9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
SMILESc1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C70H44N2O2/c1-3-15-45(16-4-1)51-29-35-61-63(41-51)69(71(53-31-27-47-19-7-9-21-49(47)39-53)55-33-37-59-57-23-11-13-25-65(57)73-67(59)43-55)62-36-30-52(46-17-5-2-6-18-46)42-64(62)70(61)72(54-32-28-48-20-8-10-22-50(48)40-54)56-34-38-60-58-24-12-14-26-66(58)74-68(60)44-56/h1-44H
InChIKeyDDRDVDZIGJHSSF-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

N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254489
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine (CID 89254148) is 9-N,10-N-di(dibenzofuran-3-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-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine is c1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)c3c2)cc1.
What is the InChIKey of 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
The InChIKey is DDRDVDZIGJHSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2/c1-3-15-45(16-4-1)51-29-35-61-63(41-51)69(71(53-31-27-47-19-7-9-21-49(47)39-53)55-33-37-59-57-23-11-13-25-65(57)73-67(59)43-55)62-36-30-52(46-17-5-2-6-18-46)42-64(62)70(61)72(54-32-28-48-20-8-10-22-50(48)40-54)56-34-38-60-58-24-12-14-26-66(58)74-68(60)44-56/h1-44H.
What are the key properties of 9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine?
9-N,10-N-di(dibenzofuran-3-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-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 89254148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).