1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene

C33H36O — CID 173098398

IUPAC1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
SMILESCOc1ccc2ccccc2c1-c1cc(C2CCCCC2)c(C2CCCCC2)c2ccccc12
InChIInChI=1S/C33H36O/c1-34-31-21-20-24-14-8-9-17-26(24)33(31)30-22-29(23-12-4-2-5-13-23)32(25-15-6-3-7-16-25)28-19-11-10-18-27(28)30/h8-11,14,17-23,25H,2-7,12-13,15-16H2,1H3
InChIKeyHFMXAVRDPSEDRA-UHFFFAOYSA-N
MW448.65 g/mol
LogP9.76
Rot. Bonds4

About 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene

1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene (PubChem CID 173098398) has the molecular formula C33H36O and a molecular weight of 448.65 g/mol. Its IUPAC name is 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
PubChem CID173098398
Molecular FormulaC33H36O
Molecular Weight448.65 g/mol
Exact Mass448.28
IUPAC Name1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
SMILESCOc1ccc2ccccc2c1-c1cc(C2CCCCC2)c(C2CCCCC2)c2ccccc12
InChIInChI=1S/C33H36O/c1-34-31-21-20-24-14-8-9-17-26(24)33(31)30-22-29(23-12-4-2-5-13-23)32(25-15-6-3-7-16-25)28-19-11-10-18-27(28)30/h8-11,14,17-23,25H,2-7,12-13,15-16H2,1H3
InChIKeyHFMXAVRDPSEDRA-UHFFFAOYSA-N
XLogP9.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene?
The IUPAC name of 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene (CID 173098398) is 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene is COc1ccc2ccccc2c1-c1cc(C2CCCCC2)c(C2CCCCC2)c2ccccc12.
What is the InChIKey of 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene?
The InChIKey is HFMXAVRDPSEDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O/c1-34-31-21-20-24-14-8-9-17-26(24)33(31)30-22-29(23-12-4-2-5-13-23)32(25-15-6-3-7-16-25)28-19-11-10-18-27(28)30/h8-11,14,17-23,25H,2-7,12-13,15-16H2,1H3.
What are the key properties of 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene?
1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene has a molecular weight of 448.65 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 173098398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).