17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane

C46H60 — CID 91527759

IUPAC17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
SMILESCc1ccc(C2C3CCCCC3C(c3ccc(C)cc3)C3C4CCC5C6CCC7CCC8CCC(C9CCC(C4C95)C23)C6C87)cc1
InChIInChI=1S/C46H60/c1-25-7-11-29(12-8-25)40-31-5-3-4-6-32(31)41(30-13-9-26(2)10-14-30)46-38-24-22-36-34-20-18-28-16-15-27-17-19-33(42(34)39(27)28)35-21-23-37(45(40)46)44(38)43(35)36/h7-14,27-28,31-46H,3-6,15-24H2,1-2H3
InChIKeyIPGBWIUYQDLTFA-UHFFFAOYSA-N
MW612.99 g/mol
LogP11.61
Rot. Bonds2

About 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane

17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane (PubChem CID 91527759) has the molecular formula C46H60 and a molecular weight of 612.99 g/mol. Its IUPAC name is 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane.

Molecular Properties

Compound Name17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
PubChem CID91527759
Molecular FormulaC46H60
Molecular Weight612.99 g/mol
Exact Mass612.47
IUPAC Name17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane
SMILESCc1ccc(C2C3CCCCC3C(c3ccc(C)cc3)C3C4CCC5C6CCC7CCC8CCC(C9CCC(C4C95)C23)C6C87)cc1
InChIInChI=1S/C46H60/c1-25-7-11-29(12-8-25)40-31-5-3-4-6-32(31)41(30-13-9-26(2)10-14-30)46-38-24-22-36-34-20-18-28-16-15-27-17-19-33(42(34)39(27)28)35-21-23-37(45(40)46)44(38)43(35)36/h7-14,27-28,31-46H,3-6,15-24H2,1-2H3
InChIKeyIPGBWIUYQDLTFA-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.99
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The IUPAC name of 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane (CID 91527759) is 17,24-bis(4-methylphenyl)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 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The canonical SMILES for 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane is Cc1ccc(C2C3CCCCC3C(c3ccc(C)cc3)C3C4CCC5C6CCC7CCC8CCC(C9CCC(C4C95)C23)C6C87)cc1.
What is the InChIKey of 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
The InChIKey is IPGBWIUYQDLTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60/c1-25-7-11-29(12-8-25)40-31-5-3-4-6-32(31)41(30-13-9-26(2)10-14-30)46-38-24-22-36-34-20-18-28-16-15-27-17-19-33(42(34)39(27)28)35-21-23-37(45(40)46)44(38)43(35)36/h7-14,27-28,31-46H,3-6,15-24H2,1-2H3.
What are the key properties of 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane?
17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane has a molecular weight of 612.99 g/mol, XLogP of 11.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,24-bis(4-methylphenyl)nonacyclo[13.13.2.22,5.03,11.04,8.012,29.016,25.018,23.026,30]dotriacontane is sourced from PubChem (CID 91527759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).