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

C50H60 — CID 90832603

IUPAC17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
SMILESc1ccc(-c2ccccc2C2C3CCCCC3C(c3ccccc3)C3C4CCC5C6CCC7CCC8CCC(C9CCC(C4C59)C23)C6C78)cc1
InChIInChI=1S/C50H60/c1-3-11-29(12-4-1)33-15-7-8-16-34(33)47-36-18-10-9-17-35(36)44(30-13-5-2-6-14-30)49-41-27-25-39-37-23-21-31-19-20-32-22-24-38(45(37)43(31)32)40-26-28-42(50(47)49)48(41)46(39)40/h1-8,11-16,31-32,35-50H,9-10,17-28H2
InChIKeyYEWMNUYZSURRCL-UHFFFAOYSA-N
MW661.03 g/mol
LogP12.66
Rot. Bonds3

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

17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane (PubChem CID 90832603) has the molecular formula C50H60 and a molecular weight of 661.03 g/mol. Its IUPAC name is 17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane.

Molecular Properties

Compound Name17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
PubChem CID90832603
Molecular FormulaC50H60
Molecular Weight661.03 g/mol
Exact Mass660.47
IUPAC Name17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
SMILESc1ccc(-c2ccccc2C2C3CCCCC3C(c3ccccc3)C3C4CCC5C6CCC7CCC8CCC(C9CCC(C4C59)C23)C6C78)cc1
InChIInChI=1S/C50H60/c1-3-11-29(12-4-1)33-15-7-8-16-34(33)47-36-18-10-9-17-35(36)44(30-13-5-2-6-14-30)49-41-27-25-39-37-23-21-31-19-20-32-22-24-38(45(37)43(31)32)40-26-28-42(50(47)49)48(41)46(39)40/h1-8,11-16,31-32,35-50H,9-10,17-28H2
InChIKeyYEWMNUYZSURRCL-UHFFFAOYSA-N
XLogP12.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.03
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 17-phenyl-24-(2-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-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane (CID 90832603) is 17-phenyl-24-(2-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-phenyl-24-(2-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-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane is c1ccc(-c2ccccc2C2C3CCCCC3C(c3ccccc3)C3C4CCC5C6CCC7CCC8CCC(C9CCC(C4C59)C23)C6C78)cc1.
What is the InChIKey of 17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The InChIKey is YEWMNUYZSURRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60/c1-3-11-29(12-4-1)33-15-7-8-16-34(33)47-36-18-10-9-17-35(36)44(30-13-5-2-6-14-30)49-41-27-25-39-37-23-21-31-19-20-32-22-24-38(45(37)43(31)32)40-26-28-42(50(47)49)48(41)46(39)40/h1-8,11-16,31-32,35-50H,9-10,17-28H2.
What are the key properties of 17-phenyl-24-(2-phenylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
17-phenyl-24-(2-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 661.03 g/mol, XLogP of 12.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-24-(2-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 90832603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).