[3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole

C199H163N12Si+ — CID 162130195

IUPAC[3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole
SMILES[2H]c1c([2H])c(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-n2cc(C(C)(C)c3cn(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2[n+]1cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)cc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c(C(C)(C)C)c([2H])n2-c1cccc(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1
InChIInChI=1S/C72H49N4Si.C36H24N2.C31H26N2.2C30H32N2/c1-3-23-52(24-4-1)77(53-25-5-2-6-26-53,54-44-49(74-66-37-17-11-29-58(66)59-30-12-18-38-67(59)74)43-50(45-54)75-68-39-19-13-31-60(68)61-32-14-20-40-69(61)75)55-46-51(76-70-41-21-15-33-62(70)63-34-16-22-42-71(63)76)47-73(48-55)72-64-35-9-7-27-56(64)57-28-8-10-36-65(57)72;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-31(2,27-21-32(23-13-5-3-6-14-23)29-19-11-9-17-25(27)29)28-22-33(24-15-7-4-8-16-24)30-20-12-10-18-26(28)30;2*1-29(2,3)25-19-31(27-16-9-7-14-23(25)27)21-12-11-13-22(18-21)32-20-26(30(4,5)6)24-15-8-10-17-28(24)32/h1-48,72H;1-24H;3-22H,1-2H3;2*7-20H,1-6H3/q+1;;;;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D;1D,2D,3D,4D,5D,6D,7D,8D,15D,16D,17D,18D,19D,20D,21D,22D;3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D;7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D;7D,8D,9D,10D,14D,15D,16D,17D,19D,20D
InChIKeyYKRLDNQJLYSOIM-OHERKMMBSA-N
MW2841.21 g/mol
LogP48.05
Rot. Bonds19

About [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole

[3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole (PubChem CID 162130195) has the molecular formula C199H163N12Si+ and a molecular weight of 2841.21 g/mol. Its IUPAC name is [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole.

Molecular Properties

Compound Name[3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole
PubChem CID162130195
Molecular FormulaC199H163N12Si+
Molecular Weight2841.21 g/mol
Exact Mass2838.85
IUPAC Name[3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole
SMILES[2H]c1c([2H])c(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-n2cc(C(C)(C)c3cn(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2[n+]1cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)cc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c(C(C)(C)C)c([2H])n2-c1cccc(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1
InChIInChI=1S/C72H49N4Si.C36H24N2.C31H26N2.2C30H32N2/c1-3-23-52(24-4-1)77(53-25-5-2-6-26-53,54-44-49(74-66-37-17-11-29-58(66)59-30-12-18-38-67(59)74)43-50(45-54)75-68-39-19-13-31-60(68)61-32-14-20-40-69(61)75)55-46-51(76-70-41-21-15-33-62(70)63-34-16-22-42-71(63)76)47-73(48-55)72-64-35-9-7-27-56(64)57-28-8-10-36-65(57)72;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-31(2,27-21-32(23-13-5-3-6-14-23)29-19-11-9-17-25(27)29)28-22-33(24-15-7-4-8-16-24)30-20-12-10-18-26(28)30;2*1-29(2,3)25-19-31(27-16-9-7-14-23(25)27)21-12-11-13-22(18-21)32-20-26(30(4,5)6)24-15-8-10-17-28(24)32/h1-48,72H;1-24H;3-22H,1-2H3;2*7-20H,1-6H3/q+1;;;;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D;1D,2D,3D,4D,5D,6D,7D,8D,15D,16D,17D,18D,19D,20D,21D,22D;3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D;7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D;7D,8D,9D,10D,14D,15D,16D,17D,19D,20D
InChIKeyYKRLDNQJLYSOIM-OHERKMMBSA-N
XLogP48.05
TPSA58.11 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002841.21
LogP ≤ 548.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole with MolForge

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Related Compounds

1-N-[4-[4-(N-[4-[bis(3-methylphenyl)methyl]phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,6-tetradeuterio-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]carbazole
CID 160689984
[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 88565814
[1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
CID 171457899
[3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
CID 172534654
[3-[1,2,3,4,5,7,8-heptadeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
CID 177122568
3-tert-butyl-9-[3-[3-(3-tert-butyl-1,2,4,5,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]phenyl]-1,2,4,5,6,7,8-heptadeuteriocarbazole;2,3,4,5,6,7-hexadeuterio-9-[3-[3-(2,3,4,5,6,7-hexadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159033377
[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 171458385
[3-[3-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165019788
triphenyl-[13-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)phenyl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane
CID 164844672
2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 165065810
9-[3-[3-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 166046909
[6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 165095571

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole?
The IUPAC name of [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole (CID 162130195) is [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole.
What is the SMILES notation for [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole?
The canonical SMILES for [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole is [2H]c1c([2H])c(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-n2cc(C(C)(C)c3cn(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1C2[n+]1cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)cc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c(C(C)(C)C)c([2H])n2-c1cccc(-n2c([2H])c(C(C)(C)C)c3c([2H])c([2H])c([2H])c([2H])c32)c1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c1.
What is the InChIKey of [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole?
The InChIKey is YKRLDNQJLYSOIM-OHERKMMBSA-N. The full InChI is InChI=1S/C72H49N4Si.C36H24N2.C31H26N2.2C30H32N2/c1-3-23-52(24-4-1)77(53-25-5-2-6-26-53,54-44-49(74-66-37-17-11-29-58(66)59-30-12-18-38-67(59)74)43-50(45-54)75-68-39-19-13-31-60(68)61-32-14-20-40-69(61)75)55-46-51(76-70-41-21-15-33-62(70)63-34-16-22-42-71(63)76)47-73(48-55)72-64-35-9-7-27-56(64)57-28-8-10-36-65(57)72;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-31(2,27-21-32(23-13-5-3-6-14-23)29-19-11-9-17-25(27)29)28-22-33(24-15-7-4-8-16-24)30-20-12-10-18-26(28)30;2*1-29(2,3)25-19-31(27-16-9-7-14-23(25)27)21-12-11-13-22(18-21)32-20-26(30(4,5)6)24-15-8-10-17-28(24)32/h1-48,72H;1-24H;3-22H,1-2H3;2*7-20H,1-6H3/q+1;;;;/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D,40D,41D,42D;1D,2D,3D,4D,5D,6D,7D,8D,15D,16D,17D,18D,19D,20D,21D,22D;3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D;7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D;7D,8D,9D,10D,14D,15D,16D,17D,19D,20D.
What are the key properties of [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole?
[3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole has a molecular weight of 2841.21 g/mol, XLogP of 48.05, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1-(1,2,3,4,5,6,7,8-octadeuterio-9H-fluoren-9-yl)pyridin-1-ium-3-yl]-diphenylsilane;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)phenyl]-2,4,5,6,7-pentadeuterioindole;3-tert-butyl-1-[3-(3-tert-butyl-2,4,5,6,7-pentadeuterioindol-1-yl)-2,4,5,6-tetradeuteriophenyl]-2,4,5,6,7-pentadeuterioindole;1,2,3,4,5,6,7,8-octadeuterio-9-[3-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]carbazole;4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-3-[2-[4,5,6,7-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)indol-3-yl]propan-2-yl]indole is sourced from PubChem (CID 162130195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).