2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine

C66H46N2 — CID 89188215

IUPAC2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
SMILESC1=Cc2cc(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)ccc2CC1
InChIInChI=1S/C66H46N2/c1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56/h1-9,11-17,19-44H,10,18H2
InChIKeyWGMRJJALCBMLNE-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.69
Rot. Bonds8

About 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine

2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine (PubChem CID 89188215) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
PubChem CID89188215
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
SMILESC1=Cc2cc(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)ccc2CC1
InChIInChI=1S/C66H46N2/c1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56/h1-9,11-17,19-44H,10,18H2
InChIKeyWGMRJJALCBMLNE-UHFFFAOYSA-N
XLogP18.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-(4,4a-dihydronaphthalen-2-yl)-2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N-dinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89190010
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89152058
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999
6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89061121
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9-(1,10a-dihydrophenanthren-2-yl)-6-N-(5,6-dihydronaphthalen-2-yl)-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene-2,6-diamine
CID 89189749
2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 89152588

Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine?
The IUPAC name of 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine (CID 89188215) is 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine.
What is the SMILES notation for 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine?
The canonical SMILES for 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine is C1=Cc2cc(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)ccc2CC1.
What is the InChIKey of 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine?
The InChIKey is WGMRJJALCBMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56/h1-9,11-17,19-44H,10,18H2.
What are the key properties of 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine?
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine has a molecular weight of 867.11 g/mol, XLogP of 18.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89188215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).