2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole

C84H84N6 — CID 58652167

IUPAC2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole
SMILESc1ccc(-n2cccc2C2CC(c3cccn3-c3ccccc3)CC(C3CC(c4cccn4-c4ccccc4)CC(C4CC(c5cccn5-c5ccccc5)CC(C5CC(c6cccn6-c6ccccc6)CC(c6cccn6-c6ccccc6)C5)C4)C3)C2)cc1
InChIInChI=1S/C84H84N6/c1-7-25-73(26-8-1)85-43-19-37-79(85)67-51-61(49-63(53-67)65-55-69(81-39-21-45-87(81)75-29-11-3-12-30-75)59-70(56-65)82-40-22-46-88(82)76-31-13-4-14-32-76)62-50-64(54-68(52-62)80-38-20-44-86(80)74-27-9-2-10-28-74)66-57-71(83-41-23-47-89(83)77-33-15-5-16-34-77)60-72(58-66)84-42-24-48-90(84)78-35-17-6-18-36-78/h1-48,61-72H,49-60H2
InChIKeyPQLOOGPXYXZRKZ-UHFFFAOYSA-N
MW1177.64 g/mol
LogP20.87
Rot. Bonds15

About 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole

2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole (PubChem CID 58652167) has the molecular formula C84H84N6 and a molecular weight of 1177.64 g/mol. Its IUPAC name is 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole.

Molecular Properties

Compound Name2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole
PubChem CID58652167
Molecular FormulaC84H84N6
Molecular Weight1177.64 g/mol
Exact Mass1176.68
IUPAC Name2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole
SMILESc1ccc(-n2cccc2C2CC(c3cccn3-c3ccccc3)CC(C3CC(c4cccn4-c4ccccc4)CC(C4CC(c5cccn5-c5ccccc5)CC(C5CC(c6cccn6-c6ccccc6)CC(c6cccn6-c6ccccc6)C5)C4)C3)C2)cc1
InChIInChI=1S/C84H84N6/c1-7-25-73(26-8-1)85-43-19-37-79(85)67-51-61(49-63(53-67)65-55-69(81-39-21-45-87(81)75-29-11-3-12-30-75)59-70(56-65)82-40-22-46-88(82)76-31-13-4-14-32-76)62-50-64(54-68(52-62)80-38-20-44-86(80)74-27-9-2-10-28-74)66-57-71(83-41-23-47-89(83)77-33-15-5-16-34-77)60-72(58-66)84-42-24-48-90(84)78-35-17-6-18-36-78/h1-48,61-72H,49-60H2
InChIKeyPQLOOGPXYXZRKZ-UHFFFAOYSA-N
XLogP20.87
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.64
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole?
The IUPAC name of 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole (CID 58652167) is 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole.
What is the SMILES notation for 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole?
The canonical SMILES for 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole is c1ccc(-n2cccc2C2CC(c3cccn3-c3ccccc3)CC(C3CC(c4cccn4-c4ccccc4)CC(C4CC(c5cccn5-c5ccccc5)CC(C5CC(c6cccn6-c6ccccc6)CC(c6cccn6-c6ccccc6)C5)C4)C3)C2)cc1.
What is the InChIKey of 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole?
The InChIKey is PQLOOGPXYXZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H84N6/c1-7-25-73(26-8-1)85-43-19-37-79(85)67-51-61(49-63(53-67)65-55-69(81-39-21-45-87(81)75-29-11-3-12-30-75)59-70(56-65)82-40-22-46-88(82)76-31-13-4-14-32-76)62-50-64(54-68(52-62)80-38-20-44-86(80)74-27-9-2-10-28-74)66-57-71(83-41-23-47-89(83)77-33-15-5-16-34-77)60-72(58-66)84-42-24-48-90(84)78-35-17-6-18-36-78/h1-48,61-72H,49-60H2.
What are the key properties of 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole?
2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole has a molecular weight of 1177.64 g/mol, XLogP of 20.87, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-[3-[3,5-bis(1-phenylpyrrol-2-yl)cyclohexyl]-5-(1-phenylpyrrol-2-yl)cyclohexyl]cyclohexyl]-1-phenylpyrrole is sourced from PubChem (CID 58652167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).