5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol

C48H60Br4O8 — CID 15831767

IUPAC5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
SMILESCCCCCC1c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc1c(O)c(Br)c2O
InChIInChI=1S/C48H60Br4O8/c1-5-9-13-17-25-29-21-31(43(55)37(49)41(29)53)26(18-14-10-6-2)33-23-35(47(59)39(51)45(33)57)28(20-16-12-8-4)36-24-34(46(58)40(52)48(36)60)27(19-15-11-7-3)32-22-30(25)42(54)38(50)44(32)56/h21-28,53-60H,5-20H2,1-4H3
InChIKeyDBHBOIMXUKWKAQ-UHFFFAOYSA-N
MW1084.62 g/mol
LogP15.54
Rot. Bonds16

About 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol

5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol (PubChem CID 15831767) has the molecular formula C48H60Br4O8 and a molecular weight of 1084.62 g/mol. Its IUPAC name is 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol.

Molecular Properties

Compound Name5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
PubChem CID15831767
Molecular FormulaC48H60Br4O8
Molecular Weight1084.62 g/mol
Exact Mass1080.10
IUPAC Name5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
SMILESCCCCCC1c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc1c(O)c(Br)c2O
InChIInChI=1S/C48H60Br4O8/c1-5-9-13-17-25-29-21-31(43(55)37(49)41(29)53)26(18-14-10-6-2)33-23-35(47(59)39(51)45(33)57)28(20-16-12-8-4)36-24-34(46(58)40(52)48(36)60)27(19-15-11-7-3)32-22-30(25)42(54)38(50)44(32)56/h21-28,53-60H,5-20H2,1-4H3
InChIKeyDBHBOIMXUKWKAQ-UHFFFAOYSA-N
XLogP15.54
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.62
LogP ≤ 515.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
The IUPAC name of 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol (CID 15831767) is 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol.
What is the SMILES notation for 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
The canonical SMILES for 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol is CCCCCC1c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc(c(O)c(Br)c2O)C(CCCCC)c2cc1c(O)c(Br)c2O.
What is the InChIKey of 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
The InChIKey is DBHBOIMXUKWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60Br4O8/c1-5-9-13-17-25-29-21-31(43(55)37(49)41(29)53)26(18-14-10-6-2)33-23-35(47(59)39(51)45(33)57)28(20-16-12-8-4)36-24-34(46(58)40(52)48(36)60)27(19-15-11-7-3)32-22-30(25)42(54)38(50)44(32)56/h21-28,53-60H,5-20H2,1-4H3.
What are the key properties of 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol?
5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol has a molecular weight of 1084.62 g/mol, XLogP of 15.54, 16 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrabromo-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol is sourced from PubChem (CID 15831767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).