6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene

C50H66O2 — CID 118654585

IUPAC6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene
SMILESCCCCCCCCCCc1ccc2cc(-c3cc(C)c(-c4cc5ccc(CCCCCCCCCC)cc5cc4OC)cc3OC)c(C)cc2c1
InChIInChI=1S/C50H66O2/c1-7-9-11-13-15-17-19-21-23-39-25-27-41-33-45(37(3)29-43(41)31-39)47-30-38(4)46(36-50(47)52-6)48-34-42-28-26-40(32-44(42)35-49(48)51-5)24-22-20-18-16-14-12-10-8-2/h25-36H,7-24H2,1-6H3
InChIKeyOXCFRENZOPHCNS-UHFFFAOYSA-N
MW699.08 g/mol
LogP15.33
Rot. Bonds22

About 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene

6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene (PubChem CID 118654585) has the molecular formula C50H66O2 and a molecular weight of 699.08 g/mol. Its IUPAC name is 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene.

Molecular Properties

Compound Name6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene
PubChem CID118654585
Molecular FormulaC50H66O2
Molecular Weight699.08 g/mol
Exact Mass698.51
IUPAC Name6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene
SMILESCCCCCCCCCCc1ccc2cc(-c3cc(C)c(-c4cc5ccc(CCCCCCCCCC)cc5cc4OC)cc3OC)c(C)cc2c1
InChIInChI=1S/C50H66O2/c1-7-9-11-13-15-17-19-21-23-39-25-27-41-33-45(37(3)29-43(41)31-39)47-30-38(4)46(36-50(47)52-6)48-34-42-28-26-40(32-44(42)35-49(48)51-5)24-22-20-18-16-14-12-10-8-2/h25-36H,7-24H2,1-6H3
InChIKeyOXCFRENZOPHCNS-UHFFFAOYSA-N
XLogP15.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.08
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene with MolForge

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Related Compounds

[7-hexyl-3-(6-hexyl-3-methylnaphthalen-2-yl)naphthalen-2-yl] trifluoromethanesulfonate
CID 159084933
2-octylanthracene
CID 23131226
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
1,2-dimethyl-4-octylbenzene
CID 14044616
ethane;2-hexylnaphthalene
CID 142191207
4-hexyl-2-methoxyaniline
CID 70551686
7-octylanthracen-2-amine
CID 87887056
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
2-heptyl-6-[2-(4-methylphenyl)ethynyl]naphthalene
CID 19912422
2-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]-6-pentylnaphthalene
CID 19912406
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397

Frequently Asked Questions

What is the IUPAC name of 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene?
The IUPAC name of 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene (CID 118654585) is 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene.
What is the SMILES notation for 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene?
The canonical SMILES for 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene is CCCCCCCCCCc1ccc2cc(-c3cc(C)c(-c4cc5ccc(CCCCCCCCCC)cc5cc4OC)cc3OC)c(C)cc2c1.
What is the InChIKey of 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene?
The InChIKey is OXCFRENZOPHCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H66O2/c1-7-9-11-13-15-17-19-21-23-39-25-27-41-33-45(37(3)29-43(41)31-39)47-30-38(4)46(36-50(47)52-6)48-34-42-28-26-40(32-44(42)35-49(48)51-5)24-22-20-18-16-14-12-10-8-2/h25-36H,7-24H2,1-6H3.
What are the key properties of 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene?
6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene has a molecular weight of 699.08 g/mol, XLogP of 15.33, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-2-[4-(6-decyl-3-methoxynaphthalen-2-yl)-2-methoxy-5-methylphenyl]-3-methylnaphthalene is sourced from PubChem (CID 118654585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).