9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine

C68H58N4 — CID 58855137

IUPAC9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine
SMILESCc1cc(C)c(C)c(N(c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccn5)c5c(C)c(C)cc(C)c5C)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c2ccccn2)c1C
InChIInChI=1S/C68H58N4/c1-43-39-44(2)48(6)67(47(43)5)71(63-23-15-17-37-69-63)57-33-35-59-61(41-57)65(55-29-25-53(26-30-55)51-19-11-9-12-20-51)60-36-34-58(42-62(60)66(59)56-31-27-54(28-32-56)52-21-13-10-14-22-52)72(64-24-16-18-38-70-64)68-49(7)45(3)40-46(4)50(68)8/h9-42H,1-8H3
InChIKeyWPEIXFWVJTYLIA-UHFFFAOYSA-N
MW931.24 g/mol
LogP18.86
Rot. Bonds10

About 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine

9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine (PubChem CID 58855137) has the molecular formula C68H58N4 and a molecular weight of 931.24 g/mol. Its IUPAC name is 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine
PubChem CID58855137
Molecular FormulaC68H58N4
Molecular Weight931.24 g/mol
Exact Mass930.47
IUPAC Name9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine
SMILESCc1cc(C)c(C)c(N(c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccn5)c5c(C)c(C)cc(C)c5C)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c2ccccn2)c1C
InChIInChI=1S/C68H58N4/c1-43-39-44(2)48(6)67(47(43)5)71(63-23-15-17-37-69-63)57-33-35-59-61(41-57)65(55-29-25-53(26-30-55)51-19-11-9-12-20-51)60-36-34-58(42-62(60)66(59)56-31-27-54(28-32-56)52-21-13-10-14-22-52)72(64-24-16-18-38-70-64)68-49(7)45(3)40-46(4)50(68)8/h9-42H,1-8H3
InChIKeyWPEIXFWVJTYLIA-UHFFFAOYSA-N
XLogP18.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.24
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine?
The IUPAC name of 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine (CID 58855137) is 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine is Cc1cc(C)c(C)c(N(c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccn5)c5c(C)c(C)cc(C)c5C)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c2ccccn2)c1C.
What is the InChIKey of 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine?
The InChIKey is WPEIXFWVJTYLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N4/c1-43-39-44(2)48(6)67(47(43)5)71(63-23-15-17-37-69-63)57-33-35-59-61(41-57)65(55-29-25-53(26-30-55)51-19-11-9-12-20-51)60-36-34-58(42-62(60)66(59)56-31-27-54(28-32-56)52-21-13-10-14-22-52)72(64-24-16-18-38-70-64)68-49(7)45(3)40-46(4)50(68)8/h9-42H,1-8H3.
What are the key properties of 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine?
9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine has a molecular weight of 931.24 g/mol, XLogP of 18.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 58855137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).