CID 160921576

C165H152 — CID 160921576

IUPAC—
SMILESC1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C3C4C5C6C7C8CCC8C7C6C5C4C3C21.CC1C2C3CC45CCC46C4(C)C7(C)C8(C)C9(C)C%10(C)C%11(C)C%12(C)C%13(C)C%14(C)C%15(C)C%16(C)C%17(C)C%18(C)C(C)C%19C%20C%21C%22C(C)C%23(C)C%24(C)C%25(C)C%26(C)C%27(C)C%28(C)C%29(C)C%30(C)C%31(C)C%32(C)C%33C%34C%35C9(C89C8C%36C%37C%32(C)C%32(C)C%38(C)C%39(C)C1(C)C1C2%40C32C5C63C25C%402C1%39C%381C%37%32C%366C8%32C79C43C%325C612)C%101C%352C%343C%33%31C%304C%295C%286C%277C%268C%259C%24%10C%22%23C%21%22C%20%21C%19%18C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%111C21C34C52C%131C%141C62C72C83C94C%22%10C%21%18C%174C%163C%1512
InChIInChI=1S/C133H116.C32H36/c1-35-39-38-34-80-32-33-81(80)79(31)69(21)63(15)62(14)68(20)73(25)77(29)78(30)76(28)72(24)67(19)61(13)54(6)37(3)41-43-42-40-36(2)53(5)60(12)66(18)71(23)75(27)74(26)70(22)65(17)59(11)56(8)47-45-49-93(62,92(63)48-44-46-55(56,7)58(10)64(16)57(9)52(35,4)50-83(39)82(38)51(80)97(81)104(79)98(69,92)94(48)88(44)90(46,58)100(64)96(50,57)117(83)116(82,97)122(94,104)118(88,100)117)99(68)95(49)89(45)91(47,59)103(65)108(70)112(74)114(75)110(71)106(66)101(60)84(40,53)86(42)87(43)85(41,54)102(61)107(67)111(72)115(76)113(78)109(77)105(73,99)123(95)121(89,103)126(108)127(109,123)131(113)130(112,126)132(114)128(110)124(106)119(86,101)120(87,102)125(107,124)129(111,128)133(115,131)132;1-2-6-5(1)9-10(6)14-13(9)17-18(14)22-21(17)25-26(22)30-29(25)31-27-23-19-15-11-7-3-4-8(7)12(11)16(15)20(19)24(23)28(27)32(30)31/h35-51H,32-34H2,1-31H3;5-32H,1-4H2
InChIKeySSCISPOSZJNZJY-UHFFFAOYSA-N
MW2135.03 g/mol
LogP27.42
Rot. Bonds

About CID 160921576

CID 160921576 (PubChem CID 160921576) has the molecular formula C165H152 and a molecular weight of 2135.03 g/mol.

Molecular Properties

Compound NameCID 160921576
PubChem CID160921576
Molecular FormulaC165H152
Molecular Weight2135.03 g/mol
Exact Mass2133.19
IUPAC Name—
SMILESC1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C3C4C5C6C7C8CCC8C7C6C5C4C3C21.CC1C2C3CC45CCC46C4(C)C7(C)C8(C)C9(C)C%10(C)C%11(C)C%12(C)C%13(C)C%14(C)C%15(C)C%16(C)C%17(C)C%18(C)C(C)C%19C%20C%21C%22C(C)C%23(C)C%24(C)C%25(C)C%26(C)C%27(C)C%28(C)C%29(C)C%30(C)C%31(C)C%32(C)C%33C%34C%35C9(C89C8C%36C%37C%32(C)C%32(C)C%38(C)C%39(C)C1(C)C1C2%40C32C5C63C25C%402C1%39C%381C%37%32C%366C8%32C79C43C%325C612)C%101C%352C%343C%33%31C%304C%295C%286C%277C%268C%259C%24%10C%22%23C%21%22C%20%21C%19%18C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%111C21C34C52C%131C%141C62C72C83C94C%22%10C%21%18C%174C%163C%1512
InChIInChI=1S/C133H116.C32H36/c1-35-39-38-34-80-32-33-81(80)79(31)69(21)63(15)62(14)68(20)73(25)77(29)78(30)76(28)72(24)67(19)61(13)54(6)37(3)41-43-42-40-36(2)53(5)60(12)66(18)71(23)75(27)74(26)70(22)65(17)59(11)56(8)47-45-49-93(62,92(63)48-44-46-55(56,7)58(10)64(16)57(9)52(35,4)50-83(39)82(38)51(80)97(81)104(79)98(69,92)94(48)88(44)90(46,58)100(64)96(50,57)117(83)116(82,97)122(94,104)118(88,100)117)99(68)95(49)89(45)91(47,59)103(65)108(70)112(74)114(75)110(71)106(66)101(60)84(40,53)86(42)87(43)85(41,54)102(61)107(67)111(72)115(76)113(78)109(77)105(73,99)123(95)121(89,103)126(108)127(109,123)131(113)130(112,126)132(114)128(110)124(106)119(86,101)120(87,102)125(107,124)129(111,128)133(115,131)132;1-2-6-5(1)9-10(6)14-13(9)17-18(14)22-21(17)25-26(22)30-29(25)31-27-23-19-15-11-7-3-4-8(7)12(11)16(15)20(19)24(23)28(27)32(30)31/h35-51H,32-34H2,1-31H3;5-32H,1-4H2
InChIKeySSCISPOSZJNZJY-UHFFFAOYSA-N
XLogP27.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002135.03
LogP ≤ 527.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,2,3,4,5,6,7,8,9,10,22,23,24-tetradecamethyldotriacontacyclo[19.3.3.24,26.25,6.27,8.29,12.216,17.218,19.113,15.120,27.03,25.023,27.024,26.329,33.134,36.011,37.025,30.028,29.028,31.030,41.031,45.032,33.032,44.034,35.035,36.037,38.038,42.039,40.039,43.040,44.041,45.042,43]pentatetracontane
CID 59929066
1,2,33,34,35,36-hexamethylpentahexacontacyclo[30.4.4.34,39.26,7.28,9.210,11.212,13.217,18.221,22.223,24.225,26.227,28.229,30.114,16.131,40.03,37.034,40.035,39.036,38.449,52.342,47.343,64.360,62.248,63.258,59.15,65.153,55.019,54.037,44.038,43.041,42.041,45.044,66.045,84.046,47.046,83.048,49.050,51.050,80.051,79.052,53.054,55.056,57.056,76.057,58.059,60.061,62.061,73.063,64.065,68.066,69.067,70.067,82.068,83.069,84.070,72.071,81.071,82.072,81.073,80.074,75.074,79.075,78.076,77.077,78]tetraoctacontane
CID 58991895
2,3,4,5,6,7,29,30,35,36-decamethylhentriacontacyclo[9.7.7.56,21.39,24.313,24.314,23.110,25.112,25.115,22.03,19.016,22.017,21.018,20.04,40.05,41.08,42.019,40.020,39.023,38.026,28.026,30.027,31.027,33.028,34.029,35.031,38.032,39.032,41.033,42.034,37.036,37]dotetracontane
CID 174082250
CID 20686197
CID 20686197
1,2,20,21,22-pentamethyloctacosacyclo[17.3.3.24,24.26,7.28,11.214,15.216,17.118,25.03,23.021,25.022,24.35,30.131,33.010,34.012,32.023,28.026,27.026,29.027,39.028,40.029,39.030,31.032,33.034,35.035,37.036,38.036,40.037,38]tetracontane
CID 174084191
(11S,12S,13R,14R,15R)-11,12,13,14,15-pentamethylnonadecacyclo[12.4.4.44,5.310,21.113,22.03,19.016,22.017,21.018,20.07,27.08,28.09,25.012,26.019,30.023,24.023,26.024,29.025,28.027,30]triacontane
CID 59097370
CID 59112413
CID 59112413
4,5,5,6,7,8,14,15-octamethylnonacyclo[8.6.0.01,12.02,7.02,9.03,6.03,16.04,15.013,16]hexadecane
CID 143863315
CID 59229468
CID 59229468
CID 59036613
CID 59036613
CID 162058034
CID 162058034
1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane
CID 162010293

Frequently Asked Questions

What is the IUPAC name of CID 160921576?
The IUPAC name of CID 160921576 (CID 160921576) is not available.
What is the SMILES notation for CID 160921576?
The canonical SMILES for CID 160921576 is C1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C3C4C5C6C7C8CCC8C7C6C5C4C3C21.CC1C2C3CC45CCC46C4(C)C7(C)C8(C)C9(C)C%10(C)C%11(C)C%12(C)C%13(C)C%14(C)C%15(C)C%16(C)C%17(C)C%18(C)C(C)C%19C%20C%21C%22C(C)C%23(C)C%24(C)C%25(C)C%26(C)C%27(C)C%28(C)C%29(C)C%30(C)C%31(C)C%32(C)C%33C%34C%35C9(C89C8C%36C%37C%32(C)C%32(C)C%38(C)C%39(C)C1(C)C1C2%40C32C5C63C25C%402C1%39C%381C%37%32C%366C8%32C79C43C%325C612)C%101C%352C%343C%33%31C%304C%295C%286C%277C%268C%259C%24%10C%22%23C%21%22C%20%21C%19%18C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%111C21C34C52C%131C%141C62C72C83C94C%22%10C%21%18C%174C%163C%1512.
What is the InChIKey of CID 160921576?
The InChIKey is SSCISPOSZJNZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H116.C32H36/c1-35-39-38-34-80-32-33-81(80)79(31)69(21)63(15)62(14)68(20)73(25)77(29)78(30)76(28)72(24)67(19)61(13)54(6)37(3)41-43-42-40-36(2)53(5)60(12)66(18)71(23)75(27)74(26)70(22)65(17)59(11)56(8)47-45-49-93(62,92(63)48-44-46-55(56,7)58(10)64(16)57(9)52(35,4)50-83(39)82(38)51(80)97(81)104(79)98(69,92)94(48)88(44)90(46,58)100(64)96(50,57)117(83)116(82,97)122(94,104)118(88,100)117)99(68)95(49)89(45)91(47,59)103(65)108(70)112(74)114(75)110(71)106(66)101(60)84(40,53)86(42)87(43)85(41,54)102(61)107(67)111(72)115(76)113(78)109(77)105(73,99)123(95)121(89,103)126(108)127(109,123)131(113)130(112,126)132(114)128(110)124(106)119(86,101)120(87,102)125(107,124)129(111,128)133(115,131)132;1-2-6-5(1)9-10(6)14-13(9)17-18(14)22-21(17)25-26(22)30-29(25)31-27-23-19-15-11-7-3-4-8(7)12(11)16(15)20(19)24(23)28(27)32(30)31/h35-51H,32-34H2,1-31H3;5-32H,1-4H2.
What are the key properties of CID 160921576?
CID 160921576 has a molecular weight of 2135.03 g/mol, XLogP of 27.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160921576 is sourced from PubChem (CID 160921576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).