CID 59065448

C69H58 — CID 59065448

IUPAC—
SMILESCCC1CCC23C(C)CC4CC5C6CC7C8C9C%10C%11C%12C%13C(C)[C@]%14(C)C%15(C)C%16(C)C%17(C)C(C)C1%18C1C%19C2%20C2%21C3C4C2C23C5C4C65C7C86C97C89C56C42C82C%213C%203C%194C15C%18%17C%161C%156C%13%14[C@]%128C6%12C6%13C9(C32C46[C@]51%12)C%107[C@]%11%138
InChIInChI=1S/C69H58/c1-9-19-10-11-41-15(2)12-18-13-20-22-14-21-25-28-30-29-27-24-16(3)37(5)39(7)40(8)38(6)17(4)42(19)35-36-52(41)46-32(41)23(18)33(46)45-26(20)34-43(22)31(21)44(25)48(28)50(30)51(29)49(27)47(24,37)57(39)58(40)56(38,42)54(35)55(36)61(52)60(45,46)66-53(34,45)59(43,44)62(48,66)65(50)64(51)63(49,57)67(54,58)68(55,64)69(61,65)66/h15-36H,9-14H2,1-8H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49-,50?,51-,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67-,68?,69?/m1/s1
InChIKeyWEMCHUCFYHFWMU-DODYCBGJSA-N
MW887.22 g/mol
LogP9.15
Rot. Bonds1

About CID 59065448

CID 59065448 (PubChem CID 59065448) has the molecular formula C69H58 and a molecular weight of 887.22 g/mol.

Molecular Properties

Compound NameCID 59065448
PubChem CID59065448
Molecular FormulaC69H58
Molecular Weight887.22 g/mol
Exact Mass886.45
IUPAC Name—
SMILESCCC1CCC23C(C)CC4CC5C6CC7C8C9C%10C%11C%12C%13C(C)[C@]%14(C)C%15(C)C%16(C)C%17(C)C(C)C1%18C1C%19C2%20C2%21C3C4C2C23C5C4C65C7C86C97C89C56C42C82C%213C%203C%194C15C%18%17C%161C%156C%13%14[C@]%128C6%12C6%13C9(C32C46[C@]51%12)C%107[C@]%11%138
InChIInChI=1S/C69H58/c1-9-19-10-11-41-15(2)12-18-13-20-22-14-21-25-28-30-29-27-24-16(3)37(5)39(7)40(8)38(6)17(4)42(19)35-36-52(41)46-32(41)23(18)33(46)45-26(20)34-43(22)31(21)44(25)48(28)50(30)51(29)49(27)47(24,37)57(39)58(40)56(38,42)54(35)55(36)61(52)60(45,46)66-53(34,45)59(43,44)62(48,66)65(50)64(51)63(49,57)67(54,58)68(55,64)69(61,65)66/h15-36H,9-14H2,1-8H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49-,50?,51-,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67-,68?,69?/m1/s1
InChIKeyWEMCHUCFYHFWMU-DODYCBGJSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.22
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59065448?
The IUPAC name of CID 59065448 (CID 59065448) is not available.
What is the SMILES notation for CID 59065448?
The canonical SMILES for CID 59065448 is CCC1CCC23C(C)CC4CC5C6CC7C8C9C%10C%11C%12C%13C(C)[C@]%14(C)C%15(C)C%16(C)C%17(C)C(C)C1%18C1C%19C2%20C2%21C3C4C2C23C5C4C65C7C86C97C89C56C42C82C%213C%203C%194C15C%18%17C%161C%156C%13%14[C@]%128C6%12C6%13C9(C32C46[C@]51%12)C%107[C@]%11%138.
What is the InChIKey of CID 59065448?
The InChIKey is WEMCHUCFYHFWMU-DODYCBGJSA-N. The full InChI is InChI=1S/C69H58/c1-9-19-10-11-41-15(2)12-18-13-20-22-14-21-25-28-30-29-27-24-16(3)37(5)39(7)40(8)38(6)17(4)42(19)35-36-52(41)46-32(41)23(18)33(46)45-26(20)34-43(22)31(21)44(25)48(28)50(30)51(29)49(27)47(24,37)57(39)58(40)56(38,42)54(35)55(36)61(52)60(45,46)66-53(34,45)59(43,44)62(48,66)65(50)64(51)63(49,57)67(54,58)68(55,64)69(61,65)66/h15-36H,9-14H2,1-8H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49-,50?,51-,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,67-,68?,69?/m1/s1.
What are the key properties of CID 59065448?
CID 59065448 has a molecular weight of 887.22 g/mol, XLogP of 9.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59065448 is sourced from PubChem (CID 59065448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).