8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene

C32H19Cl2N — CID 176747800

IUPAC8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene
SMILESClc1cccc(Cl)c1N1c2ccccc2C23c4ccccc4C(c4ccccc42)c2cccc1c23
InChIInChI=1S/C32H19Cl2N/c33-25-15-8-16-26(34)31(25)35-27-17-6-5-14-24(27)32-22-12-3-1-9-19(22)29(20-10-2-4-13-23(20)32)21-11-7-18-28(35)30(21)32/h1-18,29H
InChIKeyZBYYQYVGLRWACJ-UHFFFAOYSA-N
MW488.42 g/mol
LogP8.97
Rot. Bonds1

About 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene

8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene (PubChem CID 176747800) has the molecular formula C32H19Cl2N and a molecular weight of 488.42 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene
PubChem CID176747800
Molecular FormulaC32H19Cl2N
Molecular Weight488.42 g/mol
Exact Mass487.09
IUPAC Name8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene
SMILESClc1cccc(Cl)c1N1c2ccccc2C23c4ccccc4C(c4ccccc42)c2cccc1c23
InChIInChI=1S/C32H19Cl2N/c33-25-15-8-16-26(34)31(25)35-27-17-6-5-14-24(27)32-22-12-3-1-9-19(22)29(20-10-2-4-13-23(20)32)21-11-7-18-28(35)30(21)32/h1-18,29H
InChIKeyZBYYQYVGLRWACJ-UHFFFAOYSA-N
XLogP8.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene?
The IUPAC name of 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene (CID 176747800) is 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene?
The canonical SMILES for 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene is Clc1cccc(Cl)c1N1c2ccccc2C23c4ccccc4C(c4ccccc42)c2cccc1c23.
What is the InChIKey of 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene?
The InChIKey is ZBYYQYVGLRWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Cl2N/c33-25-15-8-16-26(34)31(25)35-27-17-6-5-14-24(27)32-22-12-3-1-9-19(22)29(20-10-2-4-13-23(20)32)21-11-7-18-28(35)30(21)32/h1-18,29H.
What are the key properties of 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene?
8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene has a molecular weight of 488.42 g/mol, XLogP of 8.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2,4,6,9,11,13(27),15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 176747800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).