1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran

C85H56O2 — CID 167601360

IUPAC1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(oc4c([2H])c(-c5c6c([2H])c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c([2H])c56)c([2H])c([2H])c43)c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c(oc5c(-c6c([2H])c([2H])c7c(c6[2H])-c6c([2H])c([2H])c([2H])c([2H])c6C7(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c54)c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C47H32O.C38H24O/c1-47(2)41-22-11-10-15-33(41)40-27-30(24-26-42(40)47)32-20-12-21-39-34-25-23-31(28-43(34)48-46(32)39)45-37-18-8-6-16-35(37)44(29-13-4-3-5-14-29)36-17-7-9-19-38(36)45;1-3-11-25(12-4-1)27-19-21-29-30-22-20-28(24-36(30)39-35(29)23-27)38-33-17-9-7-15-31(33)37(26-13-5-2-6-14-26)32-16-8-10-18-34(32)38/h3-28H,1-2H3;1-24H/i1D3,2D3,3D,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;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D
InChIKeyJTXPTMMPUDVFHQ-PUVLVDFESA-N
MW1165.72 g/mol
LogP24.09
Rot. Bonds8

About 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran

1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (PubChem CID 167601360) has the molecular formula C85H56O2 and a molecular weight of 1165.72 g/mol. Its IUPAC name is 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.

Molecular Properties

Compound Name1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
PubChem CID167601360
Molecular FormulaC85H56O2
Molecular Weight1165.72 g/mol
Exact Mass1164.78
IUPAC Name1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(oc4c([2H])c(-c5c6c([2H])c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c([2H])c56)c([2H])c([2H])c43)c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c(oc5c(-c6c([2H])c([2H])c7c(c6[2H])-c6c([2H])c([2H])c([2H])c([2H])c6C7(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c54)c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
InChIInChI=1S/C47H32O.C38H24O/c1-47(2)41-22-11-10-15-33(41)40-27-30(24-26-42(40)47)32-20-12-21-39-34-25-23-31(28-43(34)48-46(32)39)45-37-18-8-6-16-35(37)44(29-13-4-3-5-14-29)36-17-7-9-19-38(36)45;1-3-11-25(12-4-1)27-19-21-29-30-22-20-28(24-36(30)39-35(29)23-27)38-33-17-9-7-15-31(33)37(26-13-5-2-6-14-26)32-16-8-10-18-34(32)38/h3-28H,1-2H3;1-24H/i1D3,2D3,3D,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;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D
InChIKeyJTXPTMMPUDVFHQ-PUVLVDFESA-N
XLogP24.09
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.72
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167406725
1,2,3,6,8,9-hexadeuterio-7-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-4-(2,3,4,5-tetradeuteriophenyl)dibenzofuran
CID 167406558
1,2,3,6,8,9-hexadeuterio-7-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167405687
1,2,4,7,9-pentadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-8-(2,3,4,5-tetradeuteriophenyl)dibenzofuran
CID 166587981
1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176725660
1,2,3,4,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,4,5,6,7,8-heptadeuterio-9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 159302705
1,2,3,4,6,8,9-heptadeuterio-7-[1,2,3,4,5,6,8-heptadeuterio-7,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 166587716
1,2,3,4,7,8,9-heptadeuterio-6-[2,3,4,6-tetradeuterio-5-[1,2,3,4,6,7,8-heptadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 166587493
1,2,3,4,5,6,7,9,10-nonadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-[2,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-1-yl]phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 158117383
1,2,3,6,8,9-hexadeuterio-4-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,6-trideuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167419402
1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-1-yl]anthracen-9-yl]dibenzofuran
CID 155625161
1,2,4,6,8,9-hexadeuterio-3-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167405497

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The IUPAC name of 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (CID 167601360) is 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.
What is the SMILES notation for 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The canonical SMILES for 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(oc4c([2H])c(-c5c6c([2H])c([2H])c([2H])c([2H])c6c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6c([2H])c([2H])c([2H])c([2H])c56)c([2H])c([2H])c43)c2[2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c(oc5c(-c6c([2H])c([2H])c7c(c6[2H])-c6c([2H])c([2H])c([2H])c([2H])c6C7(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c54)c3[2H])c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H].
What is the InChIKey of 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The InChIKey is JTXPTMMPUDVFHQ-PUVLVDFESA-N. The full InChI is InChI=1S/C47H32O.C38H24O/c1-47(2)41-22-11-10-15-33(41)40-27-30(24-26-42(40)47)32-20-12-21-39-34-25-23-31(28-43(34)48-46(32)39)45-37-18-8-6-16-35(37)44(29-13-4-3-5-14-29)36-17-7-9-19-38(36)45;1-3-11-25(12-4-1)27-19-21-29-30-22-20-28(24-36(30)39-35(29)23-27)38-33-17-9-7-15-31(33)37(26-13-5-2-6-14-26)32-16-8-10-18-34(32)38/h3-28H,1-2H3;1-24H/i1D3,2D3,3D,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;1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D.
What are the key properties of 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran has a molecular weight of 1165.72 g/mol, XLogP of 24.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,8,9-hexadeuterio-4-[1,2,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-3-yl]-7-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;1,2,4,6,8,9-hexadeuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is sourced from PubChem (CID 167601360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).