5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone

C25H33N7O7 — CID 23642818

IUPAC5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone
SMILESCc1c2c(=O)n(C)c(=O)n1CCCCn1c(=O)n(C)c(=O)n(c1=O)CCCCn1c(C)c(c(=O)n(C)c1=O)C2
InChIInChI=1S/C25H33N7O7/c1-15-17-14-18-16(2)30(22(36)27(4)20(18)34)11-7-9-13-32-24(38)28(5)23(37)31(25(32)39)12-8-6-10-29(15)21(35)26(3)19(17)33/h6-14H2,1-5H3
InChIKeyLLOLTIOPFMCKEH-UHFFFAOYSA-N
MW543.58 g/mol
LogP-2.09
Rot. Bonds

About 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone

5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone (PubChem CID 23642818) has the molecular formula C25H33N7O7 and a molecular weight of 543.58 g/mol. Its IUPAC name is 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone.

Molecular Properties

Compound Name5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone
PubChem CID23642818
Molecular FormulaC25H33N7O7
Molecular Weight543.58 g/mol
Exact Mass543.24
IUPAC Name5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone
SMILESCc1c2c(=O)n(C)c(=O)n1CCCCn1c(=O)n(C)c(=O)n(c1=O)CCCCn1c(C)c(c(=O)n(C)c1=O)C2
InChIInChI=1S/C25H33N7O7/c1-15-17-14-18-16(2)30(22(36)27(4)20(18)34)11-7-9-13-32-24(38)28(5)23(37)31(25(32)39)12-8-6-10-29(15)21(35)26(3)19(17)33/h6-14H2,1-5H3
InChIKeyLLOLTIOPFMCKEH-UHFFFAOYSA-N
XLogP-2.09
TPSA154.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone?
The IUPAC name of 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone (CID 23642818) is 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone.
What is the SMILES notation for 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone?
The canonical SMILES for 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone is Cc1c2c(=O)n(C)c(=O)n1CCCCn1c(=O)n(C)c(=O)n(c1=O)CCCCn1c(C)c(c(=O)n(C)c1=O)C2.
What is the InChIKey of 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone?
The InChIKey is LLOLTIOPFMCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O7/c1-15-17-14-18-16(2)30(22(36)27(4)20(18)34)11-7-9-13-32-24(38)28(5)23(37)31(25(32)39)12-8-6-10-29(15)21(35)26(3)19(17)33/h6-14H2,1-5H3.
What are the key properties of 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone?
5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone has a molecular weight of 543.58 g/mol, XLogP of -2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14,23,25,27-pentamethyl-5,7,12,14,16,21,23-heptazatetracyclo[19.3.1.13,7.112,16]heptacosa-1(25),3(27)-diene-4,6,13,15,22,24,26-heptone is sourced from PubChem (CID 23642818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).