2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C142H86O3 — CID 164977378

IUPAC2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILES[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5oc6c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c([2H])c6c45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/2C50H30O.C42H26O/c1-2-15-33-30-47-45(29-32(33)14-1)50-44(25-12-26-46(50)51-47)49-41-22-9-7-20-39(41)48(40-21-8-10-23-42(40)49)43-28-27-38(36-18-5-6-19-37(36)43)35-24-11-16-31-13-3-4-17-34(31)35;1-2-13-32-28-35(25-24-31(32)12-1)36-26-27-43(38-17-6-5-16-37(36)38)48-39-18-7-9-20-41(39)49(42-21-10-8-19-40(42)48)44-22-11-23-46-50(44)45-29-33-14-3-4-15-34(33)30-47(45)51-46;1-2-11-27(12-3-1)28-21-23-29(24-22-28)40-32-15-6-8-17-34(32)41(35-18-9-7-16-33(35)40)36-19-10-20-38-42(36)37-25-30-13-4-5-14-31(30)26-39(37)43-38/h2*1-30H;1-26H/i2*1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D
InChIKeyDZBNADQCTZEXCS-YHGCCMLCSA-N
MW1926.77 g/mol
LogP40.75
Rot. Bonds9

About 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 164977378) has the molecular formula C142H86O3 and a molecular weight of 1926.77 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID164977378
Molecular FormulaC142H86O3
Molecular Weight1926.77 g/mol
Exact Mass1925.20
IUPAC Name2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILES[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5oc6c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c([2H])c6c45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/2C50H30O.C42H26O/c1-2-15-33-30-47-45(29-32(33)14-1)50-44(25-12-26-46(50)51-47)49-41-22-9-7-20-39(41)48(40-21-8-10-23-42(40)49)43-28-27-38(36-18-5-6-19-37(36)43)35-24-11-16-31-13-3-4-17-34(31)35;1-2-13-32-28-35(25-24-31(32)12-1)36-26-27-43(38-17-6-5-16-37(36)38)48-39-18-7-9-20-41(39)49(42-21-10-8-19-40(42)48)44-22-11-23-46-50(44)45-29-33-14-3-4-15-34(33)30-47(45)51-46;1-2-11-27(12-3-1)28-21-23-29(24-22-28)40-32-15-6-8-17-34(32)41(35-18-9-7-16-33(35)40)36-19-10-20-38-42(36)37-25-30-13-4-5-14-31(30)26-39(37)43-38/h2*1-30H;1-26H/i2*1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D
InChIKeyDZBNADQCTZEXCS-YHGCCMLCSA-N
XLogP40.75
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001926.77
LogP ≤ 540.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 158667189
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 158928480
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-1-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473462
1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1,2,3,4,5,6,8,9,10-nonadeuterio-7-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159953289
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7-pentadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473964
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 160799303
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 167582774
1,2,3,4,5,6,8,10,11-nonadeuterio-9-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164831118
1,3,4,6,7,8-hexadeuterio-2-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167407081
1,2,4,6,7,8-hexadeuterio-3-[2,3,5,6,7,8-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167405979
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,5,6,7,8,9,10-nonadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 165042775
1,2,3,4,5,6,8,9,10-nonadeuterio-11-[2,3,4,6,7,8-hexadeuterio-5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164830837

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 164977378) is 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is [2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c4c([2H])c([2H])c([2H])c([2H])c4c(-c4c([2H])c([2H])c([2H])c5oc6c([2H])c7c([2H])c([2H])c([2H])c([2H])c7c([2H])c6c45)c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is DZBNADQCTZEXCS-YHGCCMLCSA-N. The full InChI is InChI=1S/2C50H30O.C42H26O/c1-2-15-33-30-47-45(29-32(33)14-1)50-44(25-12-26-46(50)51-47)49-41-22-9-7-20-39(41)48(40-21-8-10-23-42(40)49)43-28-27-38(36-18-5-6-19-37(36)43)35-24-11-16-31-13-3-4-17-34(31)35;1-2-13-32-28-35(25-24-31(32)12-1)36-26-27-43(38-17-6-5-16-37(36)38)48-39-18-7-9-20-41(39)49(42-21-10-8-19-40(42)48)44-22-11-23-46-50(44)45-29-33-14-3-4-15-34(33)30-47(45)51-46;1-2-11-27(12-3-1)28-21-23-29(24-22-28)40-32-15-6-8-17-34(32)41(35-18-9-7-16-33(35)40)36-19-10-20-38-42(36)37-25-30-13-4-5-14-31(30)26-39(37)43-38/h2*1-30H;1-26H/i2*1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D.
What are the key properties of 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1926.77 g/mol, XLogP of 40.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6,7,8-hexadeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2,3,4,6,7,8,9,10,11-nonadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 164977378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).