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

C70H48N2 — CID 89061049

IUPAC6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
SMILESC1=CC2=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)=CCC2C=C1
InChIInChI=1S/C70H48N2/c1-2-20-52(21-3-1)69-65-39-37-62(72(59-35-31-49-17-6-10-24-55(49)43-59)60-36-32-50-18-7-11-25-56(50)44-60)46-68(65)70(64-28-14-26-51-19-12-13-27-63(51)64)66-40-38-61(45-67(66)69)71(57-33-29-47-15-4-8-22-53(47)41-57)58-34-30-48-16-5-9-23-54(48)42-58/h1-29,31-46,48H,30H2
InChIKeyBMDGKZQGOSUBJE-UHFFFAOYSA-N
MW917.17 g/mol
LogP19.50
Rot. Bonds8

About 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

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 (PubChem CID 89061049) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
PubChem CID89061049
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC Name6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
SMILESC1=CC2=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)=CCC2C=C1
InChIInChI=1S/C70H48N2/c1-2-20-52(21-3-1)69-65-39-37-62(72(59-35-31-49-17-6-10-24-55(49)43-59)60-36-32-50-18-7-11-25-56(50)44-60)46-68(65)70(64-28-14-26-51-19-12-13-27-63(51)64)66-40-38-61(45-67(66)69)71(57-33-29-47-15-4-8-22-53(47)41-57)58-34-30-48-16-5-9-23-54(48)42-58/h1-29,31-46,48H,30H2
InChIKeyBMDGKZQGOSUBJE-UHFFFAOYSA-N
XLogP19.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 519.50
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)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-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

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
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
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
9-naphthalen-1-yl-2-N-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 89061202
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
3-N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-1-N,1-N-diphenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 176588376
N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 176587572
9-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(2-phenylphenyl)anthracene-2,6-diamine
CID 59766175
4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-7,7a-dihydrobenzo[a]anthracene
CID 163827100
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2=CC(N(c3ccc4ccccc4c3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(-c5ccccc5)c4c3)=CCC2C=C1.
What is the InChIKey of 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?
The InChIKey is BMDGKZQGOSUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-2-20-52(21-3-1)69-65-39-37-62(72(59-35-31-49-17-6-10-24-55(49)43-59)60-36-32-50-18-7-11-25-56(50)44-60)46-68(65)70(64-28-14-26-51-19-12-13-27-63(51)64)66-40-38-61(45-67(66)69)71(57-33-29-47-15-4-8-22-53(47)41-57)58-34-30-48-16-5-9-23-54(48)42-58/h1-29,31-46,48H,30H2.
What are the key properties of 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?
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 has a molecular weight of 917.17 g/mol, XLogP of 19.50, 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)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine is sourced from PubChem (CID 89061049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).