N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline

C59H43N — CID 144983462

IUPACN-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline
SMILESCc1ccccc1N(c1ccccc1)C(C)c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1
InChIInChI=1S/C59H43N/c1-39-14-6-13-23-57(39)60(52-19-4-3-5-20-52)40(2)43-26-27-47-35-48(29-28-46(47)34-43)49-32-33-55-56(38-49)59(51-31-25-42-16-8-10-18-45(42)37-51)54-22-12-11-21-53(54)58(55)50-30-24-41-15-7-9-17-44(41)36-50/h3-38,40H,1-2H3
InChIKeyJVLZWOTVHZTBED-UHFFFAOYSA-N
MW766.00 g/mol
LogP16.66
Rot. Bonds7

About N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline

N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline (PubChem CID 144983462) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline
PubChem CID144983462
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC NameN-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline
SMILESCc1ccccc1N(c1ccccc1)C(C)c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1
InChIInChI=1S/C59H43N/c1-39-14-6-13-23-57(39)60(52-19-4-3-5-20-52)40(2)43-26-27-47-35-48(29-28-46(47)34-43)49-32-33-55-56(38-49)59(51-31-25-42-16-8-10-18-45(42)37-51)54-22-12-11-21-53(54)58(55)50-30-24-41-15-7-9-17-44(41)36-50/h3-38,40H,1-2H3
InChIKeyJVLZWOTVHZTBED-UHFFFAOYSA-N
XLogP16.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
2-[(E)-2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethenyl]-N-methyl-N-phenylaniline
CID 145003653
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline?
The IUPAC name of N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline (CID 144983462) is N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline.
What is the SMILES notation for N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline?
The canonical SMILES for N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline is Cc1ccccc1N(c1ccccc1)C(C)c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1.
What is the InChIKey of N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline?
The InChIKey is JVLZWOTVHZTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-39-14-6-13-23-57(39)60(52-19-4-3-5-20-52)40(2)43-26-27-47-35-48(29-28-46(47)34-43)49-32-33-55-56(38-49)59(51-31-25-42-16-8-10-18-45(42)37-51)54-22-12-11-21-53(54)58(55)50-30-24-41-15-7-9-17-44(41)36-50/h3-38,40H,1-2H3.
What are the key properties of N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline?
N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline has a molecular weight of 766.00 g/mol, XLogP of 16.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]ethyl]-2-methyl-N-phenylaniline is sourced from PubChem (CID 144983462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).