(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione

C34H24O2 — CID 99943945

IUPAC(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
SMILESO=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12
InChIInChI=1S/C34H24O2/c35-33-29-25-17-9-1-2-10-18(17)26(20-12-4-3-11-19(20)25)30(29)34(36)32-28-23-15-7-5-13-21(23)27(31(32)33)22-14-6-8-16-24(22)28/h1-16,25-32H/t25?,26?,27?,28?,29-,30-,31-,32-/m1/s1
InChIKeyCGNXAMDXQQTBJJ-GLWVDJIESA-N
MW464.56 g/mol
LogP6.18
Rot. Bonds

About (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione

(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione (PubChem CID 99943945) has the molecular formula C34H24O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione.

Molecular Properties

Compound Name(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
PubChem CID99943945
Molecular FormulaC34H24O2
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC Name(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
SMILESO=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12
InChIInChI=1S/C34H24O2/c35-33-29-25-17-9-1-2-10-18(17)26(20-12-4-3-11-19(20)25)30(29)34(36)32-28-23-15-7-5-13-21(23)27(31(32)33)22-14-6-8-16-24(22)28/h1-16,25-32H/t25?,26?,27?,28?,29-,30-,31-,32-/m1/s1
InChIKeyCGNXAMDXQQTBJJ-GLWVDJIESA-N
XLogP6.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione?
The IUPAC name of (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione (CID 99943945) is (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione.
What is the SMILES notation for (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione?
The canonical SMILES for (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione is O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12.
What is the InChIKey of (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione?
The InChIKey is CGNXAMDXQQTBJJ-GLWVDJIESA-N. The full InChI is InChI=1S/C34H24O2/c35-33-29-25-17-9-1-2-10-18(17)26(20-12-4-3-11-19(20)25)30(29)34(36)32-28-23-15-7-5-13-21(23)27(31(32)33)22-14-6-8-16-24(22)28/h1-16,25-32H/t25?,26?,27?,28?,29-,30-,31-,32-/m1/s1.
What are the key properties of (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione?
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione has a molecular weight of 464.56 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione is sourced from PubChem (CID 99943945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).