1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene

C42H30 — CID 59169275

IUPAC1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
SMILESCc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(C)c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C42H30/c1-27-15-17-30-26-31(19-18-29(30)25-27)33-21-22-40(36-12-6-5-11-35(33)36)42-24-23-41(37-13-7-8-14-38(37)42)39-20-16-28(2)32-9-3-4-10-34(32)39/h3-26H,1-2H3
InChIKeyTTWQVXYPLPBMEA-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.92
Rot. Bonds3

About 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene

1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene (PubChem CID 59169275) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
PubChem CID59169275
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
SMILESCc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(C)c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C42H30/c1-27-15-17-30-26-31(19-18-29(30)25-27)33-21-22-40(36-12-6-5-11-35(33)36)42-24-23-41(37-13-7-8-14-38(37)42)39-20-16-28(2)32-9-3-4-10-34(32)39/h3-26H,1-2H3
InChIKeyTTWQVXYPLPBMEA-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene?
The IUPAC name of 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene (CID 59169275) is 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene is Cc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(C)c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene?
The InChIKey is TTWQVXYPLPBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-27-15-17-30-26-31(19-18-29(30)25-27)33-21-22-40(36-12-6-5-11-35(33)36)42-24-23-41(37-13-7-8-14-38(37)42)39-20-16-28(2)32-9-3-4-10-34(32)39/h3-26H,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene?
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene has a molecular weight of 534.70 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 59169275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).