CID 20643358

C148H56 — CID 20643358

IUPAC—
SMILESC1CC2CC3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16CC%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C%37C(C1)C1C%38C%39C%40C%41C%42C2C32C%423C%41%42C%40%41C%39%40C%38%39C1%37C%361C%35%36C%34%35C%33%34C%32%33C%31%32C%30%31C%29%30C%28%29C%27%28C%26%27C%25%26C%23%24C%22%23C%21%22C%20%21C%19%20C%18%19C%17%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C78C67C56C42C32C%423C%414C%405C%391C%361C%35%17C%34%18C%33%24C%32%25C%31%32C%30%31C%29%30C%28%29C%27%28C%23%26C%22%23C%21%22C%20%21C%19%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C78C62C32C43C51C%171C%184C%245C%256C%327C%31%17C%30%18C%29%19C%23%28C%22%20C%21%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C82C31C%104C%115C%126C%137C%14%17C%15%18C%20%16%19
InChIInChI=1S/C148H56/c1-2-7-4-9-17-25-34-39-43-47-48-44-40-35-28-20-12-5-10-18-26-33-27-19-11-6-13-21-29-36-41-45-49-50-46-42-38-32-24-16-8(3-1)15-23-31-37-30-22-14(7)53(9)59(17)67(25)75(34)79(39)83(43)87(47)85(48)81(44)77(40)73(35)65(28)57(20)51(10,12)55(18)63(26)71(33)64(27)56(19)52(11,13)58(21)66(29)74(36)78(41)82(45)86(49)88(50)84(46)80(42)76(38)70(32)62(24)54(15,16)61(23)69(31)72(37)68(30)60(22,53)91(59)97(67)105(75)109(79)113(83)117(87)115(85)111(81)107(77)103(73)95(65)89(55,57)93(63)101(71)94(64)90(56,58)96(66)104(74)108(78)112(82)116(86)118(88)114(84)110(80)106(76)100(70)92(61,62)99(69)102(72)98(68,91)121(97)124(102)122(99,100)128(106)132(110)136(114)140(118)138(116)134(112)130(108)126(104)120(94,96)123(101)119(93,95)125(103)129(107)133(111)137(115)139(117)135(113)131(109)127(105,121)142(124,128)144(131,132)146(135,136)148(139,140)147(137,138)145(133,134)143(129,130)141(123,125)126/h7-50H,1-6H2
InChIKeyBABIXNKPIJEVBK-UHFFFAOYSA-N
MW1834.08 g/mol
LogP12.30
Rot. Bonds

About CID 20643358

CID 20643358 (PubChem CID 20643358) has the molecular formula C148H56 and a molecular weight of 1834.08 g/mol.

Molecular Properties

Compound NameCID 20643358
PubChem CID20643358
Molecular FormulaC148H56
Molecular Weight1834.08 g/mol
Exact Mass1832.44
IUPAC Name—
SMILESC1CC2CC3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16CC%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C%37C(C1)C1C%38C%39C%40C%41C%42C2C32C%423C%41%42C%40%41C%39%40C%38%39C1%37C%361C%35%36C%34%35C%33%34C%32%33C%31%32C%30%31C%29%30C%28%29C%27%28C%26%27C%25%26C%23%24C%22%23C%21%22C%20%21C%19%20C%18%19C%17%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C78C67C56C42C32C%423C%414C%405C%391C%361C%35%17C%34%18C%33%24C%32%25C%31%32C%30%31C%29%30C%28%29C%27%28C%23%26C%22%23C%21%22C%20%21C%19%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C78C62C32C43C51C%171C%184C%245C%256C%327C%31%17C%30%18C%29%19C%23%28C%22%20C%21%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C82C31C%104C%115C%126C%137C%14%17C%15%18C%20%16%19
InChIInChI=1S/C148H56/c1-2-7-4-9-17-25-34-39-43-47-48-44-40-35-28-20-12-5-10-18-26-33-27-19-11-6-13-21-29-36-41-45-49-50-46-42-38-32-24-16-8(3-1)15-23-31-37-30-22-14(7)53(9)59(17)67(25)75(34)79(39)83(43)87(47)85(48)81(44)77(40)73(35)65(28)57(20)51(10,12)55(18)63(26)71(33)64(27)56(19)52(11,13)58(21)66(29)74(36)78(41)82(45)86(49)88(50)84(46)80(42)76(38)70(32)62(24)54(15,16)61(23)69(31)72(37)68(30)60(22,53)91(59)97(67)105(75)109(79)113(83)117(87)115(85)111(81)107(77)103(73)95(65)89(55,57)93(63)101(71)94(64)90(56,58)96(66)104(74)108(78)112(82)116(86)118(88)114(84)110(80)106(76)100(70)92(61,62)99(69)102(72)98(68,91)121(97)124(102)122(99,100)128(106)132(110)136(114)140(118)138(116)134(112)130(108)126(104)120(94,96)123(101)119(93,95)125(103)129(107)133(111)137(115)139(117)135(113)131(109)127(105,121)142(124,128)144(131,132)146(135,136)148(139,140)147(137,138)145(133,134)143(129,130)141(123,125)126/h7-50H,1-6H2
InChIKeyBABIXNKPIJEVBK-UHFFFAOYSA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.08
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20643358?
The IUPAC name of CID 20643358 (CID 20643358) is not available.
What is the SMILES notation for CID 20643358?
The canonical SMILES for CID 20643358 is C1CC2CC3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16CC%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28C%29C%30C%31C%32C%33C%34C%35C%36C%37C(C1)C1C%38C%39C%40C%41C%42C2C32C%423C%41%42C%40%41C%39%40C%38%39C1%37C%361C%35%36C%34%35C%33%34C%32%33C%31%32C%30%31C%29%30C%28%29C%27%28C%26%27C%25%26C%23%24C%22%23C%21%22C%20%21C%19%20C%18%19C%17%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C78C67C56C42C32C%423C%414C%405C%391C%361C%35%17C%34%18C%33%24C%32%25C%31%32C%30%31C%29%30C%28%29C%27%28C%23%26C%22%23C%21%22C%20%21C%19%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C78C62C32C43C51C%171C%184C%245C%256C%327C%31%17C%30%18C%29%19C%23%28C%22%20C%21%16C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C82C31C%104C%115C%126C%137C%14%17C%15%18C%20%16%19.
What is the InChIKey of CID 20643358?
The InChIKey is BABIXNKPIJEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H56/c1-2-7-4-9-17-25-34-39-43-47-48-44-40-35-28-20-12-5-10-18-26-33-27-19-11-6-13-21-29-36-41-45-49-50-46-42-38-32-24-16-8(3-1)15-23-31-37-30-22-14(7)53(9)59(17)67(25)75(34)79(39)83(43)87(47)85(48)81(44)77(40)73(35)65(28)57(20)51(10,12)55(18)63(26)71(33)64(27)56(19)52(11,13)58(21)66(29)74(36)78(41)82(45)86(49)88(50)84(46)80(42)76(38)70(32)62(24)54(15,16)61(23)69(31)72(37)68(30)60(22,53)91(59)97(67)105(75)109(79)113(83)117(87)115(85)111(81)107(77)103(73)95(65)89(55,57)93(63)101(71)94(64)90(56,58)96(66)104(74)108(78)112(82)116(86)118(88)114(84)110(80)106(76)100(70)92(61,62)99(69)102(72)98(68,91)121(97)124(102)122(99,100)128(106)132(110)136(114)140(118)138(116)134(112)130(108)126(104)120(94,96)123(101)119(93,95)125(103)129(107)133(111)137(115)139(117)135(113)131(109)127(105,121)142(124,128)144(131,132)146(135,136)148(139,140)147(137,138)145(133,134)143(129,130)141(123,125)126/h7-50H,1-6H2.
What are the key properties of CID 20643358?
CID 20643358 has a molecular weight of 1834.08 g/mol, XLogP of 12.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20643358 is sourced from PubChem (CID 20643358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).