17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane

C56H64 — CID 91162620

IUPAC17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
SMILESc1ccc(-c2cccc(C3C4CCCCC4C(c4ccccc4-c4ccccc4)C4C5CCC6C7CCC8CCC9CCC(C%10CCC(C5C%106)C34)C7C98)c2)cc1
InChIInChI=1S/C56H64/c1-3-12-33(13-4-1)37-16-11-17-38(32-37)50-41-20-9-10-21-42(41)53(40-19-8-7-18-39(40)34-14-5-2-6-15-34)56-48-31-29-46-44-27-25-36-23-22-35-24-26-43(51(44)49(35)36)45-28-30-47(55(50)56)54(48)52(45)46/h1-8,11-19,32,35-36,41-56H,9-10,20-31H2
InChIKeyYGOWBAZRQOUQEA-UHFFFAOYSA-N
MW737.13 g/mol
LogP14.33
Rot. Bonds4

About 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane

17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane (PubChem CID 91162620) has the molecular formula C56H64 and a molecular weight of 737.13 g/mol. Its IUPAC name is 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane.

Molecular Properties

Compound Name17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
PubChem CID91162620
Molecular FormulaC56H64
Molecular Weight737.13 g/mol
Exact Mass736.50
IUPAC Name17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
SMILESc1ccc(-c2cccc(C3C4CCCCC4C(c4ccccc4-c4ccccc4)C4C5CCC6C7CCC8CCC9CCC(C%10CCC(C5C%106)C34)C7C98)c2)cc1
InChIInChI=1S/C56H64/c1-3-12-33(13-4-1)37-16-11-17-38(32-37)50-41-20-9-10-21-42(41)53(40-19-8-7-18-39(40)34-14-5-2-6-15-34)56-48-31-29-46-44-27-25-36-23-22-35-24-26-43(51(44)49(35)36)45-28-30-47(55(50)56)54(48)52(45)46/h1-8,11-19,32,35-36,41-56H,9-10,20-31H2
InChIKeyYGOWBAZRQOUQEA-UHFFFAOYSA-N
XLogP14.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.13
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The IUPAC name of 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane (CID 91162620) is 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane.
What is the SMILES notation for 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The canonical SMILES for 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane is c1ccc(-c2cccc(C3C4CCCCC4C(c4ccccc4-c4ccccc4)C4C5CCC6C7CCC8CCC9CCC(C%10CCC(C5C%106)C34)C7C98)c2)cc1.
What is the InChIKey of 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The InChIKey is YGOWBAZRQOUQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64/c1-3-12-33(13-4-1)37-16-11-17-38(32-37)50-41-20-9-10-21-42(41)53(40-19-8-7-18-39(40)34-14-5-2-6-15-34)56-48-31-29-46-44-27-25-36-23-22-35-24-26-43(51(44)49(35)36)45-28-30-47(55(50)56)54(48)52(45)46/h1-8,11-19,32,35-36,41-56H,9-10,20-31H2.
What are the key properties of 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane has a molecular weight of 737.13 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(2-phenylphenyl)-24-(3-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane is sourced from PubChem (CID 91162620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).