2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene

C146H206O2 — CID 101395172

IUPAC2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene
SMILESCCCCCC1CCC(c2ccc(OCCCCCCCCCCCCc3cc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c4cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)ccc4c3-c3c(CCCCCCCCCCCCOc4ccc(C5CCC(CCCCC)CC5)cc4)cc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c4cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)ccc34)cc2)CC1
InChIInChI=1S/C146H206O2/c1-7-13-35-45-111-53-65-117(66-54-111)123-77-81-129(82-78-123)133-97-103-139-143(107-133)141(131-89-85-125(86-90-131)119-69-57-113(58-70-119)47-37-15-9-3)109-135(51-41-31-27-23-19-21-25-29-33-43-105-147-137-99-93-127(94-100-137)121-73-61-115(62-74-121)49-39-17-11-5)145(139)146-136(52-42-32-28-24-20-22-26-30-34-44-106-148-138-101-95-128(96-102-138)122-75-63-116(64-76-122)50-40-18-12-6)110-142(132-91-87-126(88-92-132)120-71-59-114(60-72-120)48-38-16-10-4)144-108-134(98-104-140(144)146)130-83-79-124(80-84-130)118-67-55-112(56-68-118)46-36-14-8-2/h77-104,107-122H,7-76,105-106H2,1-6H3
InChIKeyHBMCIUGDPKDDKP-UHFFFAOYSA-N
MW1993.25 g/mol
LogP46.50
Rot. Bonds63

About 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene

2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene (PubChem CID 101395172) has the molecular formula C146H206O2 and a molecular weight of 1993.25 g/mol. Its IUPAC name is 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene
PubChem CID101395172
Molecular FormulaC146H206O2
Molecular Weight1993.25 g/mol
Exact Mass1991.60
IUPAC Name2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene
SMILESCCCCCC1CCC(c2ccc(OCCCCCCCCCCCCc3cc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c4cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)ccc4c3-c3c(CCCCCCCCCCCCOc4ccc(C5CCC(CCCCC)CC5)cc4)cc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c4cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)ccc34)cc2)CC1
InChIInChI=1S/C146H206O2/c1-7-13-35-45-111-53-65-117(66-54-111)123-77-81-129(82-78-123)133-97-103-139-143(107-133)141(131-89-85-125(86-90-131)119-69-57-113(58-70-119)47-37-15-9-3)109-135(51-41-31-27-23-19-21-25-29-33-43-105-147-137-99-93-127(94-100-137)121-73-61-115(62-74-121)49-39-17-11-5)145(139)146-136(52-42-32-28-24-20-22-26-30-34-44-106-148-138-101-95-128(96-102-138)122-75-63-116(64-76-122)50-40-18-12-6)110-142(132-91-87-126(88-92-132)120-71-59-114(60-72-120)48-38-16-10-4)144-108-134(98-104-140(144)146)130-83-79-124(80-84-130)118-67-55-112(56-68-118)46-36-14-8-2/h77-104,107-122H,7-76,105-106H2,1-6H3
InChIKeyHBMCIUGDPKDDKP-UHFFFAOYSA-N
XLogP46.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds63
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001993.25
LogP ≤ 546.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene with MolForge

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Related Compounds

1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
CID 154928109
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 102313483

Frequently Asked Questions

What is the IUPAC name of 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene?
The IUPAC name of 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene (CID 101395172) is 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene.
What is the SMILES notation for 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene?
The canonical SMILES for 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene is CCCCCC1CCC(c2ccc(OCCCCCCCCCCCCc3cc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c4cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)ccc4c3-c3c(CCCCCCCCCCCCOc4ccc(C5CCC(CCCCC)CC5)cc4)cc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c4cc(-c5ccc(C6CCC(CCCCC)CC6)cc5)ccc34)cc2)CC1.
What is the InChIKey of 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene?
The InChIKey is HBMCIUGDPKDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H206O2/c1-7-13-35-45-111-53-65-117(66-54-111)123-77-81-129(82-78-123)133-97-103-139-143(107-133)141(131-89-85-125(86-90-131)119-69-57-113(58-70-119)47-37-15-9-3)109-135(51-41-31-27-23-19-21-25-29-33-43-105-147-137-99-93-127(94-100-137)121-73-61-115(62-74-121)49-39-17-11-5)145(139)146-136(52-42-32-28-24-20-22-26-30-34-44-106-148-138-101-95-128(96-102-138)122-75-63-116(64-76-122)50-40-18-12-6)110-142(132-91-87-126(88-92-132)120-71-59-114(60-72-120)48-38-16-10-4)144-108-134(98-104-140(144)146)130-83-79-124(80-84-130)118-67-55-112(56-68-118)46-36-14-8-2/h77-104,107-122H,7-76,105-106H2,1-6H3.
What are the key properties of 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene?
2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene has a molecular weight of 1993.25 g/mol, XLogP of 46.50, 63 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-1-[2-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4,6-bis[4-(4-pentylcyclohexyl)phenyl]naphthalene is sourced from PubChem (CID 101395172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).