hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol

C35H30O5 — CID 2725101

IUPAChexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
SMILESOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2
InChIInChI=1S/C35H30O5/c36-31-21-6-1-7-22(31)17-24-9-3-11-26(33(24)38)19-28-13-5-15-30(35(28)40)20-29-14-4-12-27(34(29)39)18-25-10-2-8-23(16-21)32(25)37/h1-15,36-40H,16-20H2
InChIKeyQEUBHEGFPPTWLY-UHFFFAOYSA-N
MW530.62 g/mol
LogP6.48
Rot. Bonds

About hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol

hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol (PubChem CID 2725101) has the molecular formula C35H30O5 and a molecular weight of 530.62 g/mol. Its IUPAC name is hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol.

Molecular Properties

Compound Namehexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
PubChem CID2725101
Molecular FormulaC35H30O5
Molecular Weight530.62 g/mol
Exact Mass530.21
IUPAC Namehexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
SMILESOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2
InChIInChI=1S/C35H30O5/c36-31-21-6-1-7-22(31)17-24-9-3-11-26(33(24)38)19-28-13-5-15-30(35(28)40)20-29-14-4-12-27(34(29)39)18-25-10-2-8-23(16-21)32(25)37/h1-15,36-40H,16-20H2
InChIKeyQEUBHEGFPPTWLY-UHFFFAOYSA-N
XLogP6.48
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 56.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol?
The IUPAC name of hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol (CID 2725101) is hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol.
What is the SMILES notation for hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol?
The canonical SMILES for hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol is Oc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2.
What is the InChIKey of hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol?
The InChIKey is QEUBHEGFPPTWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O5/c36-31-21-6-1-7-22(31)17-24-9-3-11-26(33(24)38)19-28-13-5-15-30(35(28)40)20-29-14-4-12-27(34(29)39)18-25-10-2-8-23(16-21)32(25)37/h1-15,36-40H,16-20H2.
What are the key properties of hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol?
hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol has a molecular weight of 530.62 g/mol, XLogP of 6.48, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol is sourced from PubChem (CID 2725101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).