CID 20670701

C150H60 — CID 20670701

IUPAC—
SMILESC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25CC%26C%27C%28C%29C%30C%31C%32C%33%34C%35C%36C%37%38C%39C%40C%41%42C%43C%44C%45%46C%47C%48C%49%50C%51C%52C5(C5C6%53C76C8C97C%108C%119C%12%10C%13%11C%14%12C%15%13C%16%14C%17%15C%18%16C%19%17C%20%18C%21%19C%22%20C%23%21C%24%22C%26%25C%27%23C%28%24C%29%31C%32%25C%33%26C%35%27C%36%28C%37%29C%39%31C%40%32C%41%33C%43%35C%44%36C%45%37C%47%39C%48%40C%49%41C%51%43C%525C%535C67C86C%435C%415C96C%106C%117C%128C%139C%14%10C%15%11C%16%12C%17%13C%18%14C%19%15C%20%16C%21%17C%23%22C%24%25C%26%17C%27%16C%28%15C%29%14C%31%13C%32%12C%33%11C%35%10C%369C%378C%397C%4065)C45C34C23C1C1C2C6C7C8CC9C%10C%30C%34%11C%10%12C98C78C67C26C13C41C%505C%462C%423C%38%11C%128C73C612
InChIInChI=1S/C150H60/c1-5-14-26-32-34-36-42-39-40-43-38-37-41-35-33-31-21-12-3-8-17-27-22-13-23-16-7-2-11-20-30-29-19-10-4-9-18-28-25-15-6(1)61-44(5)63(14)80(26)84(32)86(34)88(36)94(42)90(39)92(40)95(43)91(38)89(37)93(41)87(35)85(33)83(31)77(21)60(8,12)74(17)79(27)62(22)24(13)45-65-48-49-67-51-53-69-55-54-68-52-50-66-47-46-57(25,71(28)72(18)58(9,10)75(19)81(29)82(30)76(20)59(7,11)73(16)78(23,65)114(67)116(69)115(68)113(66,71)117(72,75)122(81,115)123(82,116)118(73,76)114)56-64(15,61)107-70(46,56)97(47)109(66)99(50)102(52)111(68)104(54)105(55)112(69)103(53)101(51)110(67)100(49)98(48)108(65)96(45,62)120(79)119(74,77)124(83)125(85)127(87)134(93)129(89)131(91)136(95)132(92)130(90)135(94)128(88)126(86)133(84)121(80,106(61,63)107)137(97,107)147(109,133)139(99,126)142(102,128)149(111,135)144(104,130)145(105,132)150(112,136)143(103,131)141(101,129)148(110,134)140(100,127)138(98,125)146(108,120)124/h5-56H,1-4H2
InChIKeyKJNXEIUAWHTRLP-UHFFFAOYSA-N
MW1862.13 g/mol
LogP12.18
Rot. Bonds

About CID 20670701

CID 20670701 (PubChem CID 20670701) has the molecular formula C150H60 and a molecular weight of 1862.13 g/mol.

Molecular Properties

Compound NameCID 20670701
PubChem CID20670701
Molecular FormulaC150H60
Molecular Weight1862.13 g/mol
Exact Mass1860.47
IUPAC Name—
SMILESC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25CC%26C%27C%28C%29C%30C%31C%32C%33%34C%35C%36C%37%38C%39C%40C%41%42C%43C%44C%45%46C%47C%48C%49%50C%51C%52C5(C5C6%53C76C8C97C%108C%119C%12%10C%13%11C%14%12C%15%13C%16%14C%17%15C%18%16C%19%17C%20%18C%21%19C%22%20C%23%21C%24%22C%26%25C%27%23C%28%24C%29%31C%32%25C%33%26C%35%27C%36%28C%37%29C%39%31C%40%32C%41%33C%43%35C%44%36C%45%37C%47%39C%48%40C%49%41C%51%43C%525C%535C67C86C%435C%415C96C%106C%117C%128C%139C%14%10C%15%11C%16%12C%17%13C%18%14C%19%15C%20%16C%21%17C%23%22C%24%25C%26%17C%27%16C%28%15C%29%14C%31%13C%32%12C%33%11C%35%10C%369C%378C%397C%4065)C45C34C23C1C1C2C6C7C8CC9C%10C%30C%34%11C%10%12C98C78C67C26C13C41C%505C%462C%423C%38%11C%128C73C612
InChIInChI=1S/C150H60/c1-5-14-26-32-34-36-42-39-40-43-38-37-41-35-33-31-21-12-3-8-17-27-22-13-23-16-7-2-11-20-30-29-19-10-4-9-18-28-25-15-6(1)61-44(5)63(14)80(26)84(32)86(34)88(36)94(42)90(39)92(40)95(43)91(38)89(37)93(41)87(35)85(33)83(31)77(21)60(8,12)74(17)79(27)62(22)24(13)45-65-48-49-67-51-53-69-55-54-68-52-50-66-47-46-57(25,71(28)72(18)58(9,10)75(19)81(29)82(30)76(20)59(7,11)73(16)78(23,65)114(67)116(69)115(68)113(66,71)117(72,75)122(81,115)123(82,116)118(73,76)114)56-64(15,61)107-70(46,56)97(47)109(66)99(50)102(52)111(68)104(54)105(55)112(69)103(53)101(51)110(67)100(49)98(48)108(65)96(45,62)120(79)119(74,77)124(83)125(85)127(87)134(93)129(89)131(91)136(95)132(92)130(90)135(94)128(88)126(86)133(84)121(80,106(61,63)107)137(97,107)147(109,133)139(99,126)142(102,128)149(111,135)144(104,130)145(105,132)150(112,136)143(103,131)141(101,129)148(110,134)140(100,127)138(98,125)146(108,120)124/h5-56H,1-4H2
InChIKeyKJNXEIUAWHTRLP-UHFFFAOYSA-N
XLogP12.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001862.13
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20670701?
The IUPAC name of CID 20670701 (CID 20670701) is not available.
What is the SMILES notation for CID 20670701?
The canonical SMILES for CID 20670701 is C1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25CC%26C%27C%28C%29C%30C%31C%32C%33%34C%35C%36C%37%38C%39C%40C%41%42C%43C%44C%45%46C%47C%48C%49%50C%51C%52C5(C5C6%53C76C8C97C%108C%119C%12%10C%13%11C%14%12C%15%13C%16%14C%17%15C%18%16C%19%17C%20%18C%21%19C%22%20C%23%21C%24%22C%26%25C%27%23C%28%24C%29%31C%32%25C%33%26C%35%27C%36%28C%37%29C%39%31C%40%32C%41%33C%43%35C%44%36C%45%37C%47%39C%48%40C%49%41C%51%43C%525C%535C67C86C%435C%415C96C%106C%117C%128C%139C%14%10C%15%11C%16%12C%17%13C%18%14C%19%15C%20%16C%21%17C%23%22C%24%25C%26%17C%27%16C%28%15C%29%14C%31%13C%32%12C%33%11C%35%10C%369C%378C%397C%4065)C45C34C23C1C1C2C6C7C8CC9C%10C%30C%34%11C%10%12C98C78C67C26C13C41C%505C%462C%423C%38%11C%128C73C612.
What is the InChIKey of CID 20670701?
The InChIKey is KJNXEIUAWHTRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H60/c1-5-14-26-32-34-36-42-39-40-43-38-37-41-35-33-31-21-12-3-8-17-27-22-13-23-16-7-2-11-20-30-29-19-10-4-9-18-28-25-15-6(1)61-44(5)63(14)80(26)84(32)86(34)88(36)94(42)90(39)92(40)95(43)91(38)89(37)93(41)87(35)85(33)83(31)77(21)60(8,12)74(17)79(27)62(22)24(13)45-65-48-49-67-51-53-69-55-54-68-52-50-66-47-46-57(25,71(28)72(18)58(9,10)75(19)81(29)82(30)76(20)59(7,11)73(16)78(23,65)114(67)116(69)115(68)113(66,71)117(72,75)122(81,115)123(82,116)118(73,76)114)56-64(15,61)107-70(46,56)97(47)109(66)99(50)102(52)111(68)104(54)105(55)112(69)103(53)101(51)110(67)100(49)98(48)108(65)96(45,62)120(79)119(74,77)124(83)125(85)127(87)134(93)129(89)131(91)136(95)132(92)130(90)135(94)128(88)126(86)133(84)121(80,106(61,63)107)137(97,107)147(109,133)139(99,126)142(102,128)149(111,135)144(104,130)145(105,132)150(112,136)143(103,131)141(101,129)148(110,134)140(100,127)138(98,125)146(108,120)124/h5-56H,1-4H2.
What are the key properties of CID 20670701?
CID 20670701 has a molecular weight of 1862.13 g/mol, XLogP of 12.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20670701 is sourced from PubChem (CID 20670701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).