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

C66H48N2 — CID 89190010

IUPAC6-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
SMILESC1=CC2=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7c(c6)C=CCC7)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)=CCC2C=C1
InChIInChI=1S/C66H48N2/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/h1-9,11-17,19-27,29-44,46H,10,18,28H2
InChIKeySCWOCXPDVKYPMG-UHFFFAOYSA-N
MW869.12 g/mol
LogP18.16
Rot. Bonds8

About 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

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 (PubChem CID 89190010) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID89190010
Molecular FormulaC66H48N2
Molecular Weight869.12 g/mol
Exact Mass868.38
IUPAC Name6-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
SMILESC1=CC2=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7c(c6)C=CCC7)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)=CCC2C=C1
InChIInChI=1S/C66H48N2/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/h1-9,11-17,19-27,29-44,46H,10,18,28H2
InChIKeySCWOCXPDVKYPMG-UHFFFAOYSA-N
XLogP18.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
CID 89061049
N-(4,4a-dihydronaphthalen-2-yl)-N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3,10-diphenyltriphenylen-1-yl]phenyl]naphthalen-2-amine
CID 89084007
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
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
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
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
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
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
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5ccccc5)c5cc(N(c6ccc7c(c6)C=CCC7)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)=CCC2C=C1.
What is the InChIKey of 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?
The InChIKey is SCWOCXPDVKYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/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/h1-9,11-17,19-27,29-44,46H,10,18,28H2.
What are the key properties of 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?
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 has a molecular weight of 869.12 g/mol, XLogP of 18.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89190010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).