1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene

C23H18N2 — CID 101204700

IUPAC1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(=[N+]=[N-])c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C23H18N2/c1-15-11-13-21(19-9-5-3-7-17(15)19)23(25-24)22-14-12-16(2)18-8-4-6-10-20(18)22/h3-14H,1-2H3
InChIKeyYTVIQBRZCQQPPU-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.68
Rot. Bonds2

About 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene

1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene (PubChem CID 101204700) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
PubChem CID101204700
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(=[N+]=[N-])c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C23H18N2/c1-15-11-13-21(19-9-5-3-7-17(15)19)23(25-24)22-14-12-16(2)18-8-4-6-10-20(18)22/h3-14H,1-2H3
InChIKeyYTVIQBRZCQQPPU-UHFFFAOYSA-N
XLogP5.68
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
CID 58760824
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
1,5-dimethylnaphthalene
CID 162159355
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107096188
1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene
CID 4267790
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
CID 156771934
CID 156771934

Frequently Asked Questions

What is the IUPAC name of 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene?
The IUPAC name of 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene (CID 101204700) is 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene.
What is the SMILES notation for 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene?
The canonical SMILES for 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene is Cc1ccc(C(=[N+]=[N-])c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene?
The InChIKey is YTVIQBRZCQQPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-15-11-13-21(19-9-5-3-7-17(15)19)23(25-24)22-14-12-16(2)18-8-4-6-10-20(18)22/h3-14H,1-2H3.
What are the key properties of 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene?
1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene has a molecular weight of 322.41 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene is sourced from PubChem (CID 101204700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).