9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine

C60H43N3 — CID 89060944

IUPAC9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
SMILESc1ccc(-c2c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c(N3CCc4ccccc43)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C60H43N3/c1-4-19-45(20-5-1)59-54-34-32-53(63(49-25-8-3-9-26-49)51-31-29-43-17-11-13-22-47(43)39-51)41-57(54)60(61-37-36-44-18-14-15-27-58(44)61)55-35-33-52(40-56(55)59)62(48-23-6-2-7-24-48)50-30-28-42-16-10-12-21-46(42)38-50/h1-35,38-41H,36-37H2
InChIKeyLUUPUWSURRQIJX-UHFFFAOYSA-N
MW806.03 g/mol
LogP16.60
Rot. Bonds8

About 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine

9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine (PubChem CID 89060944) has the molecular formula C60H43N3 and a molecular weight of 806.03 g/mol. Its IUPAC name is 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
PubChem CID89060944
Molecular FormulaC60H43N3
Molecular Weight806.03 g/mol
Exact Mass805.35
IUPAC Name9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
SMILESc1ccc(-c2c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c(N3CCc4ccccc43)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C60H43N3/c1-4-19-45(20-5-1)59-54-34-32-53(63(49-25-8-3-9-26-49)51-31-29-43-17-11-13-22-47(43)39-51)41-57(54)60(61-37-36-44-18-14-15-27-58(44)61)55-35-33-52(40-56(55)59)62(48-23-6-2-7-24-48)50-30-28-42-16-10-12-21-46(42)38-50/h1-35,38-41H,36-37H2
InChIKeyLUUPUWSURRQIJX-UHFFFAOYSA-N
XLogP16.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-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,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
CID 90055282
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 143986181

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?
The IUPAC name of 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine (CID 89060944) is 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine.
What is the SMILES notation for 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?
The canonical SMILES for 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine is c1ccc(-c2c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c(N3CCc4ccccc43)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc23)cc1.
What is the InChIKey of 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?
The InChIKey is LUUPUWSURRQIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3/c1-4-19-45(20-5-1)59-54-34-32-53(63(49-25-8-3-9-26-49)51-31-29-43-17-11-13-22-47(43)39-51)41-57(54)60(61-37-36-44-18-14-15-27-58(44)61)55-35-33-52(40-56(55)59)62(48-23-6-2-7-24-48)50-30-28-42-16-10-12-21-46(42)38-50/h1-35,38-41H,36-37H2.
What are the key properties of 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine?
9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine has a molecular weight of 806.03 g/mol, XLogP of 16.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydroindol-1-yl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine is sourced from PubChem (CID 89060944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).