5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol

C32H28Br4O4 — CID 15216093

IUPAC5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
SMILESCc1c(Br)cc2c(O)c1Cc1cc(Br)c(C)c(c1O)Cc1cc(Br)c(C)c(c1O)Cc1cc(Br)c(C)c(c1O)C2
InChIInChI=1S/C32H28Br4O4/c1-13-21-5-17-10-26(34)15(3)23(30(17)38)7-19-11-28(36)16(4)24(32(19)40)8-20-12-27(35)14(2)22(31(20)39)6-18(29(21)37)9-25(13)33/h9-12,37-40H,5-8H2,1-4H3
InChIKeyUPSJCDSBDMZNJA-UHFFFAOYSA-N
MW796.19 g/mol
LogP9.47
Rot. Bonds

About 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol (PubChem CID 15216093) has the molecular formula C32H28Br4O4 and a molecular weight of 796.19 g/mol. Its IUPAC name is 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.

Molecular Properties

Compound Name5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
PubChem CID15216093
Molecular FormulaC32H28Br4O4
Molecular Weight796.19 g/mol
Exact Mass791.87
IUPAC Name5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
SMILESCc1c(Br)cc2c(O)c1Cc1cc(Br)c(C)c(c1O)Cc1cc(Br)c(C)c(c1O)Cc1cc(Br)c(C)c(c1O)C2
InChIInChI=1S/C32H28Br4O4/c1-13-21-5-17-10-26(34)15(3)23(30(17)38)7-19-11-28(36)16(4)24(32(19)40)8-20-12-27(35)14(2)22(31(20)39)6-18(29(21)37)9-25(13)33/h9-12,37-40H,5-8H2,1-4H3
InChIKeyUPSJCDSBDMZNJA-UHFFFAOYSA-N
XLogP9.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.19
LogP ≤ 59.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The IUPAC name of 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol (CID 15216093) is 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.
What is the SMILES notation for 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The canonical SMILES for 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol is Cc1c(Br)cc2c(O)c1Cc1cc(Br)c(C)c(c1O)Cc1cc(Br)c(C)c(c1O)Cc1cc(Br)c(C)c(c1O)C2.
What is the InChIKey of 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
The InChIKey is UPSJCDSBDMZNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Br4O4/c1-13-21-5-17-10-26(34)15(3)23(30(17)38)7-19-11-28(36)16(4)24(32(19)40)8-20-12-27(35)14(2)22(31(20)39)6-18(29(21)37)9-25(13)33/h9-12,37-40H,5-8H2,1-4H3.
What are the key properties of 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?
5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol has a molecular weight of 796.19 g/mol, XLogP of 9.47, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrabromo-4,10,16,22-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol is sourced from PubChem (CID 15216093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).