5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine

C51H44N4 — CID 163797747

IUPAC5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine
SMILESNC1CC(c2ccc3c(C4=CCC5C=CC=CC5=C4)c4c(c(-c5ccc6ccccc6c5)c3c2)C=CCC4)C=CC1NNc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C51H44N4/c52-48-31-39(22-26-49(48)55-54-43-23-19-35(20-24-43)42-12-7-27-53-32-42)38-21-25-46-47(30-38)51(41-18-16-34-9-2-4-11-37(34)29-41)45-14-6-5-13-44(45)50(46)40-17-15-33-8-1-3-10-36(33)28-40/h1-4,6-12,14,16-30,32-33,39,48-49,54-55H,5,13,15,31,52H2
InChIKeyIDYJSWOLRUQLQL-UHFFFAOYSA-N
MW712.94 g/mol
LogP11.49
Rot. Bonds7

About 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine

5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine (PubChem CID 163797747) has the molecular formula C51H44N4 and a molecular weight of 712.94 g/mol. Its IUPAC name is 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine
PubChem CID163797747
Molecular FormulaC51H44N4
Molecular Weight712.94 g/mol
Exact Mass712.36
IUPAC Name5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine
SMILESNC1CC(c2ccc3c(C4=CCC5C=CC=CC5=C4)c4c(c(-c5ccc6ccccc6c5)c3c2)C=CCC4)C=CC1NNc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C51H44N4/c52-48-31-39(22-26-49(48)55-54-43-23-19-35(20-24-43)42-12-7-27-53-32-42)38-21-25-46-47(30-38)51(41-18-16-34-9-2-4-11-37(34)29-41)45-14-6-5-13-44(45)50(46)40-17-15-33-8-1-3-10-36(33)28-40/h1-4,6-12,14,16-30,32-33,39,48-49,54-55H,5,13,15,31,52H2
InChIKeyIDYJSWOLRUQLQL-UHFFFAOYSA-N
XLogP11.49
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 511.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine with MolForge

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Related Compounds

2-[4-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-ylanthracen-2-yl]phenyl]-1-phenyl-4,5-dihydrobenzimidazole
CID 139514376
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
2-(1,2-dihydronaphthalen-2-yl)-6,10-dinaphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 59766313
3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
CID 155052921
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146360933
2-[4-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 89218061
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
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
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 129044308
10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
CID 167515701
3-[3-[4-[10-(1,2,4a,5,6,8a-hexahydronaphthalen-2-yl)anthracen-9-yl]cyclohexa-2,4-dien-1-yl]phenyl]pyridine
CID 89001293

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine?
The IUPAC name of 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine (CID 163797747) is 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine?
The canonical SMILES for 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine is NC1CC(c2ccc3c(C4=CCC5C=CC=CC5=C4)c4c(c(-c5ccc6ccccc6c5)c3c2)C=CCC4)C=CC1NNc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine?
The InChIKey is IDYJSWOLRUQLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N4/c52-48-31-39(22-26-49(48)55-54-43-23-19-35(20-24-43)42-12-7-27-53-32-42)38-21-25-46-47(30-38)51(41-18-16-34-9-2-4-11-37(34)29-41)45-14-6-5-13-44(45)50(46)40-17-15-33-8-1-3-10-36(33)28-40/h1-4,6-12,14,16-30,32-33,39,48-49,54-55H,5,13,15,31,52H2.
What are the key properties of 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine?
5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine has a molecular weight of 712.94 g/mol, XLogP of 11.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-2-yl-5,6-dihydroanthracen-2-yl]-2-[2-(4-pyridin-3-ylphenyl)hydrazinyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 163797747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).