1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C76H46O2 — CID 159976041

IUPAC1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILES[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H]
InChIInChI=1S/C40H24O.C36H22O/c1-2-12-27-24-38-36(22-26(27)11-1)35-23-28(20-21-37(35)41-38)39-31-15-5-7-17-33(31)40(34-18-8-6-16-32(34)39)30-19-9-13-25-10-3-4-14-29(25)30;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-24H;1-22H/i1D,2D,5D,6D,7D,8D,11D,12D,15D,16D,17D,18D,20D,21D,22D,23D,24D;4D,5D,6D,7D,8D,9D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D
InChIKeyOFEAAWJAOLJEQQ-RUKKNTJPSA-N
MW1025.41 g/mol
LogP21.91
Rot. Bonds4

About 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 159976041) has the molecular formula C76H46O2 and a molecular weight of 1025.41 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
PubChem CID159976041
Molecular FormulaC76H46O2
Molecular Weight1025.41 g/mol
Exact Mass1024.56
IUPAC Name1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILES[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H]
InChIInChI=1S/C40H24O.C36H22O/c1-2-12-27-24-38-36(22-26(27)11-1)35-23-28(20-21-37(35)41-38)39-31-15-5-7-17-33(31)40(34-18-8-6-16-32(34)39)30-19-9-13-25-10-3-4-14-29(25)30;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-24H;1-22H/i1D,2D,5D,6D,7D,8D,11D,12D,15D,16D,17D,18D,20D,21D,22D,23D,24D;4D,5D,6D,7D,8D,9D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D
InChIKeyOFEAAWJAOLJEQQ-RUKKNTJPSA-N
XLogP21.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.41
LogP ≤ 521.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473565
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[10-[2-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170664306
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170664428
1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167405471
1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 166587422
1,2,3,4,6,7,9-heptadeuterio-8-(1,2,3,4-tetradeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 158009382
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473502
1,3,4-trideuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 176786288
1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-naphthalen-1-yl-7-phenylanthracene
CID 155641892
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663753
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,5,6,7,8-hexadeuterionaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 164836170
1,2,3,4,6,8,9-heptadeuterio-7-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167406955

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 159976041) is 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is [2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].[2H]c1c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c2c(oc3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c32)c1[2H].
What is the InChIKey of 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is OFEAAWJAOLJEQQ-RUKKNTJPSA-N. The full InChI is InChI=1S/C40H24O.C36H22O/c1-2-12-27-24-38-36(22-26(27)11-1)35-23-28(20-21-37(35)41-38)39-31-15-5-7-17-33(31)40(34-18-8-6-16-32(34)39)30-19-9-13-25-10-3-4-14-29(25)30;1-2-10-23(11-3-1)35-27-14-6-8-16-29(27)36(30-17-9-7-15-28(30)35)26-18-19-33-31(21-26)32-20-24-12-4-5-13-25(24)22-34(32)37-33/h1-24H;1-22H/i1D,2D,5D,6D,7D,8D,11D,12D,15D,16D,17D,18D,20D,21D,22D,23D,24D;4D,5D,6D,7D,8D,9D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D.
What are the key properties of 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 1025.41 g/mol, XLogP of 21.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1,3,4,6,7,8,9,10,11-nonadeuterio-2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 159976041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).