bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium

C102H113S3+3 — CID 146204637

IUPACbis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium
SMILESc1ccc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CC(c5cccc([S+](c6ccccc6)c6ccc(C7CC8CC7C7CC(C9CCCC(c%10ccc([S+](c%11ccc(C%12CCCCC%12)cc%11)c%11ccc(C%12CCCCC%12)cc%11)cc%10)C9)CC87)cc6)c5)CC43)cc2)cc1
InChIInChI=1S/C102H113S3/c1-5-16-66(17-6-1)68-30-42-84(43-31-68)104(85-44-32-69(33-45-85)67-18-7-2-8-19-67)86-46-34-70(35-47-86)74-20-13-21-75(54-74)77-56-96-80-61-95(101(64-80)99(96)58-77)73-40-52-89(53-41-73)105(83-25-11-4-12-26-83)90-27-14-22-76(55-90)78-57-97-81-62-94(102(65-81)100(97)59-78)72-38-50-88(51-39-72)103(82-23-9-3-10-24-82)87-48-36-71(37-49-87)93-60-79-63-98(93)92-29-15-28-91(79)92/h3-4,9-12,14,22-27,30-53,55,66-67,74-75,77-81,91-102H,1-2,5-8,13,15-21,28-29,54,56-65H2/q+3
InChIKeyQXZSQFOHDYVULB-UHFFFAOYSA-N
MW1435.23 g/mol
LogP27.28
Rot. Bonds17

About bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium

bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium (PubChem CID 146204637) has the molecular formula C102H113S3+3 and a molecular weight of 1435.23 g/mol. Its IUPAC name is bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium.

Molecular Properties

Compound Namebis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium
PubChem CID146204637
Molecular FormulaC102H113S3+3
Molecular Weight1435.23 g/mol
Exact Mass1433.80
IUPAC Namebis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium
SMILESc1ccc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CC(c5cccc([S+](c6ccccc6)c6ccc(C7CC8CC7C7CC(C9CCCC(c%10ccc([S+](c%11ccc(C%12CCCCC%12)cc%11)c%11ccc(C%12CCCCC%12)cc%11)cc%10)C9)CC87)cc6)c5)CC43)cc2)cc1
InChIInChI=1S/C102H113S3/c1-5-16-66(17-6-1)68-30-42-84(43-31-68)104(85-44-32-69(33-45-85)67-18-7-2-8-19-67)86-46-34-70(35-47-86)74-20-13-21-75(54-74)77-56-96-80-61-95(101(64-80)99(96)58-77)73-40-52-89(53-41-73)105(83-25-11-4-12-26-83)90-27-14-22-76(55-90)78-57-97-81-62-94(102(65-81)100(97)59-78)72-38-50-88(51-39-72)103(82-23-9-3-10-24-82)87-48-36-71(37-49-87)93-60-79-63-98(93)92-29-15-28-91(79)92/h3-4,9-12,14,22-27,30-53,55,66-67,74-75,77-81,91-102H,1-2,5-8,13,15-21,28-29,54,56-65H2/q+3
InChIKeyQXZSQFOHDYVULB-UHFFFAOYSA-N
XLogP27.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001435.23
LogP ≤ 527.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium?
The IUPAC name of bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium (CID 146204637) is bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium.
What is the SMILES notation for bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium?
The canonical SMILES for bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium is c1ccc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CC(c5cccc([S+](c6ccccc6)c6ccc(C7CC8CC7C7CC(C9CCCC(c%10ccc([S+](c%11ccc(C%12CCCCC%12)cc%11)c%11ccc(C%12CCCCC%12)cc%11)cc%10)C9)CC87)cc6)c5)CC43)cc2)cc1.
What is the InChIKey of bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium?
The InChIKey is QXZSQFOHDYVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H113S3/c1-5-16-66(17-6-1)68-30-42-84(43-31-68)104(85-44-32-69(33-45-85)67-18-7-2-8-19-67)86-46-34-70(35-47-86)74-20-13-21-75(54-74)77-56-96-80-61-95(101(64-80)99(96)58-77)73-40-52-89(53-41-73)105(83-25-11-4-12-26-83)90-27-14-22-76(55-90)78-57-97-81-62-94(102(65-81)100(97)59-78)72-38-50-88(51-39-72)103(82-23-9-3-10-24-82)87-48-36-71(37-49-87)93-60-79-63-98(93)92-29-15-28-91(79)92/h3-4,9-12,14,22-27,30-53,55,66-67,74-75,77-81,91-102H,1-2,5-8,13,15-21,28-29,54,56-65H2/q+3.
What are the key properties of bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium?
bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium has a molecular weight of 1435.23 g/mol, XLogP of 27.28, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium is sourced from PubChem (CID 146204637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).