1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene

C34H40 — CID 173298077

IUPAC1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene
SMILESCCCCC(CC(C)Cc1ccccc1)(c1ccccc1)C(C)(C)c1cccc2ccccc12
InChIInChI=1S/C34H40/c1-5-6-24-34(30-20-11-8-12-21-30,26-27(2)25-28-16-9-7-10-17-28)33(3,4)32-23-15-19-29-18-13-14-22-31(29)32/h7-23,27H,5-6,24-26H2,1-4H3
InChIKeyKXCJVLFLMZRKMC-UHFFFAOYSA-N
MW448.69 g/mol
LogP9.51
Rot. Bonds10

About 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene

1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene (PubChem CID 173298077) has the molecular formula C34H40 and a molecular weight of 448.69 g/mol. Its IUPAC name is 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene.

Molecular Properties

Compound Name1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene
PubChem CID173298077
Molecular FormulaC34H40
Molecular Weight448.69 g/mol
Exact Mass448.31
IUPAC Name1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene
SMILESCCCCC(CC(C)Cc1ccccc1)(c1ccccc1)C(C)(C)c1cccc2ccccc12
InChIInChI=1S/C34H40/c1-5-6-24-34(30-20-11-8-12-21-30,26-27(2)25-28-16-9-7-10-17-28)33(3,4)32-23-15-19-29-18-13-14-22-31(29)32/h7-23,27H,5-6,24-26H2,1-4H3
InChIKeyKXCJVLFLMZRKMC-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene?
The IUPAC name of 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene (CID 173298077) is 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene.
What is the SMILES notation for 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene?
The canonical SMILES for 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene is CCCCC(CC(C)Cc1ccccc1)(c1ccccc1)C(C)(C)c1cccc2ccccc12.
What is the InChIKey of 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene?
The InChIKey is KXCJVLFLMZRKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40/c1-5-6-24-34(30-20-11-8-12-21-30,26-27(2)25-28-16-9-7-10-17-28)33(3,4)32-23-15-19-29-18-13-14-22-31(29)32/h7-23,27H,5-6,24-26H2,1-4H3.
What are the key properties of 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene?
1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene has a molecular weight of 448.69 g/mol, XLogP of 9.51, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene is sourced from PubChem (CID 173298077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).