CID 59104663

C130H46 — CID 59104663

IUPAC—
SMILESC1C2C3C4C5C6C7C8C9CC%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20CC%21C%22C%23C%24C%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C1C21C32C43C54C65C76C87C9%10C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%21%20C%22%17C%23%18C%24%19C%25%20C%26%21C%27%22C%28%29C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%381C21C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%11C%15%12C%17%16C%18%13C%19%14C%20%15C%21%16C%22%23C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%301C21C32C43C56C74C85C96C%107C%118C%13%12C%149C%15%10C%16%17C%18%11C%19%12C%20%13C%21%14C%221C21C34C52C%141C%131C%123C%10%11C98C73C621
InChIInChI=1S/C130H46/c1-5-13-21-29-30-22-14-6-2-10-19-27-35-39-42-40-36-28-20-12-4-8-16-24-32-31-23-15-7-3-11-18-26-34-38-41-37-33-25-17-9(1)43(5)47(13)55(21)63(29)64(30)56(22)48(14)44(6,10)52(19)61(27)69(35)73(39)76(42)74(40)70(36)62(28)54(20)46(8,12)50(16)58(24)66(32)65(31)57(23)49(15)45(7,11)53(18)60(26)68(34)72(38)75(41)71(37)67(33)59(25)51(17,43)77(47)81(55)89(63)90(64)82(56)78(48,52)86(61)95(69)99(73)102(76)100(74)96(70)88(62)80(50,54)84(58)92(66)91(65)83(57)79(49,53)87(60)94(68)98(72)101(75)97(71)93(67)85(59,77)103(81)107(89)108(90)104(82,86)112(95)117(99)120(102)118(100)114(96)106(84,88)110(92)109(91)105(83,87)113(94)116(98)119(101)115(97)111(93,103)121(107)122(108,112)126(117)125(115,121)129(119)127(116)123(109,113)124(110,114)128(118,127)130(120,126)129/h5-42H,1-4H2
InChIKeyQOSFAHSLYDHTQD-UHFFFAOYSA-N
MW1607.80 g/mol
LogP9.97
Rot. Bonds

About CID 59104663

CID 59104663 (PubChem CID 59104663) has the molecular formula C130H46 and a molecular weight of 1607.80 g/mol.

Molecular Properties

Compound NameCID 59104663
PubChem CID59104663
Molecular FormulaC130H46
Molecular Weight1607.80 g/mol
Exact Mass1606.36
IUPAC Name—
SMILESC1C2C3C4C5C6C7C8C9CC%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20CC%21C%22C%23C%24C%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C1C21C32C43C54C65C76C87C9%10C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%21%20C%22%17C%23%18C%24%19C%25%20C%26%21C%27%22C%28%29C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%381C21C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%11C%15%12C%17%16C%18%13C%19%14C%20%15C%21%16C%22%23C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%301C21C32C43C56C74C85C96C%107C%118C%13%12C%149C%15%10C%16%17C%18%11C%19%12C%20%13C%21%14C%221C21C34C52C%141C%131C%123C%10%11C98C73C621
InChIInChI=1S/C130H46/c1-5-13-21-29-30-22-14-6-2-10-19-27-35-39-42-40-36-28-20-12-4-8-16-24-32-31-23-15-7-3-11-18-26-34-38-41-37-33-25-17-9(1)43(5)47(13)55(21)63(29)64(30)56(22)48(14)44(6,10)52(19)61(27)69(35)73(39)76(42)74(40)70(36)62(28)54(20)46(8,12)50(16)58(24)66(32)65(31)57(23)49(15)45(7,11)53(18)60(26)68(34)72(38)75(41)71(37)67(33)59(25)51(17,43)77(47)81(55)89(63)90(64)82(56)78(48,52)86(61)95(69)99(73)102(76)100(74)96(70)88(62)80(50,54)84(58)92(66)91(65)83(57)79(49,53)87(60)94(68)98(72)101(75)97(71)93(67)85(59,77)103(81)107(89)108(90)104(82,86)112(95)117(99)120(102)118(100)114(96)106(84,88)110(92)109(91)105(83,87)113(94)116(98)119(101)115(97)111(93,103)121(107)122(108,112)126(117)125(115,121)129(119)127(116)123(109,113)124(110,114)128(118,127)130(120,126)129/h5-42H,1-4H2
InChIKeyQOSFAHSLYDHTQD-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001607.80
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59104663?
The IUPAC name of CID 59104663 (CID 59104663) is not available.
What is the SMILES notation for CID 59104663?
The canonical SMILES for CID 59104663 is C1C2C3C4C5C6C7C8C9CC%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20CC%21C%22C%23C%24C%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C1C21C32C43C54C65C76C87C9%10C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%21%20C%22%17C%23%18C%24%19C%25%20C%26%21C%27%22C%28%29C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%381C21C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%11C%15%12C%17%16C%18%13C%19%14C%20%15C%21%16C%22%23C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%301C21C32C43C56C74C85C96C%107C%118C%13%12C%149C%15%10C%16%17C%18%11C%19%12C%20%13C%21%14C%221C21C34C52C%141C%131C%123C%10%11C98C73C621.
What is the InChIKey of CID 59104663?
The InChIKey is QOSFAHSLYDHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H46/c1-5-13-21-29-30-22-14-6-2-10-19-27-35-39-42-40-36-28-20-12-4-8-16-24-32-31-23-15-7-3-11-18-26-34-38-41-37-33-25-17-9(1)43(5)47(13)55(21)63(29)64(30)56(22)48(14)44(6,10)52(19)61(27)69(35)73(39)76(42)74(40)70(36)62(28)54(20)46(8,12)50(16)58(24)66(32)65(31)57(23)49(15)45(7,11)53(18)60(26)68(34)72(38)75(41)71(37)67(33)59(25)51(17,43)77(47)81(55)89(63)90(64)82(56)78(48,52)86(61)95(69)99(73)102(76)100(74)96(70)88(62)80(50,54)84(58)92(66)91(65)83(57)79(49,53)87(60)94(68)98(72)101(75)97(71)93(67)85(59,77)103(81)107(89)108(90)104(82,86)112(95)117(99)120(102)118(100)114(96)106(84,88)110(92)109(91)105(83,87)113(94)116(98)119(101)115(97)111(93,103)121(107)122(108,112)126(117)125(115,121)129(119)127(116)123(109,113)124(110,114)128(118,127)130(120,126)129/h5-42H,1-4H2.
What are the key properties of CID 59104663?
CID 59104663 has a molecular weight of 1607.80 g/mol, XLogP of 9.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59104663 is sourced from PubChem (CID 59104663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).