1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine

C24H21N3O — CID 54131264

IUPAC1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
SMILES[H]/N=C(\N)N(c1ccc2cccc3c2c1CC3)c1ccc(OC)c2ccccc12
InChIInChI=1S/C24H21N3O/c1-28-22-14-13-20(17-7-2-3-8-18(17)22)27(24(25)26)21-12-10-16-6-4-5-15-9-11-19(21)23(15)16/h2-8,10,12-14H,9,11H2,1H3,(H3,25,26)
InChIKeyNUNRRQZLJVAWCU-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.13
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine

1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine (PubChem CID 54131264) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
PubChem CID54131264
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
SMILES[H]/N=C(\N)N(c1ccc2cccc3c2c1CC3)c1ccc(OC)c2ccccc12
InChIInChI=1S/C24H21N3O/c1-28-22-14-13-20(17-7-2-3-8-18(17)22)27(24(25)26)21-12-10-16-6-4-5-15-9-11-19(21)23(15)16/h2-8,10,12-14H,9,11H2,1H3,(H3,25,26)
InChIKeyNUNRRQZLJVAWCU-UHFFFAOYSA-N
XLogP5.13
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
CID 15284382
1,2-bis(1,2-dihydroacenaphthylen-3-yl)-1-methylguanidine
CID 18751836
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499
(NZ)-N-[(1R)-1-(2-methoxynaphthalen-1-yl)-3,4-dihydro-1H-naphthalen-2-ylidene]hydroxylamine
CID 98533854
1-(2-iodo-5-methylsulfanylphenyl)-1-naphthalen-1-ylguanidine
CID 174394159
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
1,1-bis(2-hydroxyacenaphthylen-5-yl)guanidine
CID 67554041
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
2-(4-butan-2-ylphenyl)-1-(1,2-dihydroacenaphthylen-3-yl)-1-methylguanidine
CID 18752036
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[N-(1,2-dihydroacenaphthylen-3-yl)anilino]phenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-3-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 160642479
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine (CID 54131264) is 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine is [H]/N=C(\N)N(c1ccc2cccc3c2c1CC3)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
The InChIKey is NUNRRQZLJVAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-7-2-3-8-18(17)22)27(24(25)26)21-12-10-16-6-4-5-15-9-11-19(21)23(15)16/h2-8,10,12-14H,9,11H2,1H3,(H3,25,26).
What are the key properties of 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine has a molecular weight of 367.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine is sourced from PubChem (CID 54131264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).