9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine

C74H48N2O2 — CID 89254658

IUPAC9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3c4ccc(-c5ccccc5)cc4c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4ccc(-c5ccccc5)cc34)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C74H48N2O2/c1-5-19-49(20-6-1)53-35-41-57(42-36-53)75(67-31-17-29-63-59-27-13-15-33-69(59)77-73(63)67)71-61-45-39-56(52-25-11-4-12-26-52)48-66(61)72(62-46-40-55(47-65(62)71)51-23-9-3-10-24-51)76(58-43-37-54(38-44-58)50-21-7-2-8-22-50)68-32-18-30-64-60-28-14-16-34-70(60)78-74(64)68/h1-48H
InChIKeyIXWGKEAEZFJMHO-UHFFFAOYSA-N
MW997.21 g/mol
LogP21.40
Rot. Bonds10

About 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine

9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine (PubChem CID 89254658) has the molecular formula C74H48N2O2 and a molecular weight of 997.21 g/mol. Its IUPAC name is 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
PubChem CID89254658
Molecular FormulaC74H48N2O2
Molecular Weight997.21 g/mol
Exact Mass996.37
IUPAC Name9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3c4ccc(-c5ccccc5)cc4c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4ccc(-c5ccccc5)cc34)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C74H48N2O2/c1-5-19-49(20-6-1)53-35-41-57(42-36-53)75(67-31-17-29-63-59-27-13-15-33-69(59)77-73(63)67)71-61-45-39-56(52-25-11-4-12-26-52)48-66(61)72(62-46-40-55(47-65(62)71)51-23-9-3-10-24-51)76(58-43-37-54(38-44-58)50-21-7-2-8-22-50)68-32-18-30-64-60-28-14-16-34-70(60)78-74(64)68/h1-48H
InChIKeyIXWGKEAEZFJMHO-UHFFFAOYSA-N
XLogP21.40
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.21
LogP ≤ 521.40
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)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254489
N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155304327
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
17-phenyl-N,N-bis(4-phenylphenyl)-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 171050177
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine (CID 89254658) is 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine is c1ccc(-c2ccc(N(c3c4ccc(-c5ccccc5)cc4c(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)c4ccc(-c5ccccc5)cc34)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine?
The InChIKey is IXWGKEAEZFJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O2/c1-5-19-49(20-6-1)53-35-41-57(42-36-53)75(67-31-17-29-63-59-27-13-15-33-69(59)77-73(63)67)71-61-45-39-56(52-25-11-4-12-26-52)48-66(61)72(62-46-40-55(47-65(62)71)51-23-9-3-10-24-51)76(58-43-37-54(38-44-58)50-21-7-2-8-22-50)68-32-18-30-64-60-28-14-16-34-70(60)78-74(64)68/h1-48H.
What are the key properties of 9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine?
9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine has a molecular weight of 997.21 g/mol, XLogP of 21.40, 10 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)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 89254658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).