1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine

C38H35N3 — CID 54062819

IUPAC1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine
SMILESCCc1cccc(/N=C(\N(C)c2cccc3ccccc23)N(c2cccc(CC)c2)c2cccc3ccccc23)c1
InChIInChI=1S/C38H35N3/c1-4-28-14-10-20-32(26-28)39-38(40(3)36-24-12-18-30-16-6-8-22-34(30)36)41(33-21-11-15-29(5-2)27-33)37-25-13-19-31-17-7-9-23-35(31)37/h6-27H,4-5H2,1-3H3/b39-38+
InChIKeyMAXSICNKTGKNRK-YMZYAJTMSA-N
MW533.72 g/mol
LogP10.08
Rot. Bonds6

About 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine

1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine (PubChem CID 54062819) has the molecular formula C38H35N3 and a molecular weight of 533.72 g/mol. Its IUPAC name is 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine.

Molecular Properties

Compound Name1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine
PubChem CID54062819
Molecular FormulaC38H35N3
Molecular Weight533.72 g/mol
Exact Mass533.28
IUPAC Name1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine
SMILESCCc1cccc(/N=C(\N(C)c2cccc3ccccc23)N(c2cccc(CC)c2)c2cccc3ccccc23)c1
InChIInChI=1S/C38H35N3/c1-4-28-14-10-20-32(26-28)39-38(40(3)36-24-12-18-30-16-6-8-22-34(30)36)41(33-21-11-15-29(5-2)27-33)37-25-13-19-31-17-7-9-23-35(31)37/h6-27H,4-5H2,1-3H3/b39-38+
InChIKeyMAXSICNKTGKNRK-YMZYAJTMSA-N
XLogP10.08
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-ethyl-N-methyl-N-naphthalen-1-ylbenzamide
CID 90124264
2-(2-chloro-5-ethylphenyl)-1-methyl-1-naphthalen-1-ylguanidine
CID 154448676
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
9,9-diethyl-2-N,7-N-bis(3-ethylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
CID 121276313
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873158
N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
N,3-diethyl-N-methylaniline
CID 131018542
N,N-diphenylnaphthalen-1-amine
CID 11392281
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine?
The IUPAC name of 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine (CID 54062819) is 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine.
What is the SMILES notation for 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine?
The canonical SMILES for 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine is CCc1cccc(/N=C(\N(C)c2cccc3ccccc23)N(c2cccc(CC)c2)c2cccc3ccccc23)c1.
What is the InChIKey of 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine?
The InChIKey is MAXSICNKTGKNRK-YMZYAJTMSA-N. The full InChI is InChI=1S/C38H35N3/c1-4-28-14-10-20-32(26-28)39-38(40(3)36-24-12-18-30-16-6-8-22-34(30)36)41(33-21-11-15-29(5-2)27-33)37-25-13-19-31-17-7-9-23-35(31)37/h6-27H,4-5H2,1-3H3/b39-38+.
What are the key properties of 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine?
1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine has a molecular weight of 533.72 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-ethylphenyl)-3-methyl-1,3-dinaphthalen-1-ylguanidine is sourced from PubChem (CID 54062819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).