1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene

C33H26 — CID 123365008

IUPAC1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
SMILESCc1ccc(Cc2ccc(Cc3cccc4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C33H26/c1-23-17-18-26(31-14-5-4-12-29(23)31)22-28-20-19-27(32-15-6-7-16-33(28)32)21-25-11-8-10-24-9-2-3-13-30(24)25/h2-20H,21-22H2,1H3
InChIKeyAQRPRCYMQJWPMV-UHFFFAOYSA-N
MW422.57 g/mol
LogP8.64
Rot. Bonds4

About 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene

1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene (PubChem CID 123365008) has the molecular formula C33H26 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene.

Molecular Properties

Compound Name1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
PubChem CID123365008
Molecular FormulaC33H26
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC Name1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
SMILESCc1ccc(Cc2ccc(Cc3cccc4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C33H26/c1-23-17-18-26(31-14-5-4-12-29(23)31)22-28-20-19-27(32-15-6-7-16-33(28)32)21-25-11-8-10-24-9-2-3-13-30(24)25/h2-20H,21-22H2,1H3
InChIKeyAQRPRCYMQJWPMV-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 66760372
CID 66760372
1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene
CID 140626136
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384
1-methyl-8-[(2-methylphenyl)methyl]naphthalene
CID 164971033
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
CID 57419547
CID 57419547
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
methane;1-methylphenanthrene
CID 175001905
(4-methylnaphthalen-1-yl)methylhydrazine
CID 53401450

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene?
The IUPAC name of 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene (CID 123365008) is 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene.
What is the SMILES notation for 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene?
The canonical SMILES for 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene is Cc1ccc(Cc2ccc(Cc3cccc4ccccc34)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene?
The InChIKey is AQRPRCYMQJWPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26/c1-23-17-18-26(31-14-5-4-12-29(23)31)22-28-20-19-27(32-15-6-7-16-33(28)32)21-25-11-8-10-24-9-2-3-13-30(24)25/h2-20H,21-22H2,1H3.
What are the key properties of 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene?
1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene has a molecular weight of 422.57 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene is sourced from PubChem (CID 123365008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).