9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran

C118H76O — CID 167583750

IUPAC9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c3ccccc3c(-c3c([2H])c([2H])c([2H])c4c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c([2H])c([2H])c([2H])c34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3c([2H])c([2H])c4c([2H])c([2H])c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c([2H])c4c3[2H])c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30.C40H26.C32H20O/c1-2-15-32(16-3-1)35-18-6-7-19-39(35)45-41-20-8-10-22-43(41)46(44-23-11-9-21-42(44)45)40-27-13-25-37-36(24-12-26-38(37)40)34-29-28-31-14-4-5-17-33(31)30-34;1-2-11-29(12-3-1)39-35-14-6-8-16-37(35)40(38-17-9-7-15-36(38)39)33-23-20-28-19-22-32(25-34(28)26-33)31-21-18-27-10-4-5-13-30(27)24-31;1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-30H;1-26H;1-20H/i1D,2D,3D,4D,5D,6D,7D,12D,13D,14D,15D,16D,17D,18D,19D,24D,25D,26D,27D,28D,29D,30D;1D,2D,3D,4D,5D,10D,11D,12D,13D,18D,19D,20D,21D,22D,23D,24D,25D,26D;
InChIKeyHNCJYKCBNULOCT-FZEZDPHYSA-N
MW1550.15 g/mol
LogP33.49
Rot. Bonds9

About 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran

9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 167583750) has the molecular formula C118H76O and a molecular weight of 1550.15 g/mol. Its IUPAC name is 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID167583750
Molecular FormulaC118H76O
Molecular Weight1550.15 g/mol
Exact Mass1548.84
IUPAC Name9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c3ccccc3c(-c3c([2H])c([2H])c([2H])c4c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c([2H])c([2H])c([2H])c34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3c([2H])c([2H])c4c([2H])c([2H])c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c([2H])c4c3[2H])c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30.C40H26.C32H20O/c1-2-15-32(16-3-1)35-18-6-7-19-39(35)45-41-20-8-10-22-43(41)46(44-23-11-9-21-42(44)45)40-27-13-25-37-36(24-12-26-38(37)40)34-29-28-31-14-4-5-17-33(31)30-34;1-2-11-29(12-3-1)39-35-14-6-8-16-37(35)40(38-17-9-7-15-36(38)39)33-23-20-28-19-22-32(25-34(28)26-33)31-21-18-27-10-4-5-13-30(27)24-31;1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-30H;1-26H;1-20H/i1D,2D,3D,4D,5D,6D,7D,12D,13D,14D,15D,16D,17D,18D,19D,24D,25D,26D,27D,28D,29D,30D;1D,2D,3D,4D,5D,10D,11D,12D,13D,18D,19D,20D,21D,22D,23D,24D,25D,26D;
InChIKeyHNCJYKCBNULOCT-FZEZDPHYSA-N
XLogP33.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001550.15
LogP ≤ 533.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)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

2-[2,3,4,6,7,8-hexadeuterio-5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;2-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 165087827
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[1,3,4,5,6,7,8-heptadeuterio-9-methyl-9-(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8,9,10-nonadeuteriophenanthren-2-yl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran;2-[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 158696393
2-[10-[2,4,5,6,7,8-hexadeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170662535
2-[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]-8-phenyldibenzofuran
CID 167406011
2-[2,3,4,6-tetradeuterio-5-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 170663536
2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170654038
3-[10-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662980
2-[10-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170661777
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]-8-phenyldibenzofuran
CID 167406995
2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-8-phenyldibenzofuran
CID 170664348
3-[2,3,5,6,7,8-hexadeuterio-4-[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]dibenzofuran
CID 164779701
2-(2,3,4,5,6-pentadeuteriophenyl)-7-[10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662080

Frequently Asked Questions

What is the IUPAC name of 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran (CID 167583750) is 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2-c2c3ccccc3c(-c3c([2H])c([2H])c([2H])c4c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c([2H])c([2H])c([2H])c34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3c([2H])c([2H])c4c([2H])c([2H])c(-c5c([2H])c([2H])c6c([2H])c([2H])c([2H])c([2H])c6c5[2H])c([2H])c4c3[2H])c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is HNCJYKCBNULOCT-FZEZDPHYSA-N. The full InChI is InChI=1S/C46H30.C40H26.C32H20O/c1-2-15-32(16-3-1)35-18-6-7-19-39(35)45-41-20-8-10-22-43(41)46(44-23-11-9-21-42(44)45)40-27-13-25-37-36(24-12-26-38(37)40)34-29-28-31-14-4-5-17-33(31)30-34;1-2-11-29(12-3-1)39-35-14-6-8-16-37(35)40(38-17-9-7-15-36(38)39)33-23-20-28-19-22-32(25-34(28)26-33)31-21-18-27-10-4-5-13-30(27)24-31;1-2-10-21(11-3-1)31-24-13-4-6-15-26(24)32(27-16-7-5-14-25(27)31)22-18-19-30-28(20-22)23-12-8-9-17-29(23)33-30/h1-30H;1-26H;1-20H/i1D,2D,3D,4D,5D,6D,7D,12D,13D,14D,15D,16D,17D,18D,19D,24D,25D,26D,27D,28D,29D,30D;1D,2D,3D,4D,5D,10D,11D,12D,13D,18D,19D,20D,21D,22D,23D,24D,25D,26D;.
What are the key properties of 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran?
9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 1550.15 g/mol, XLogP of 33.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1,3,4,5,6,8-hexadeuterio-7-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[2,3,4,6,7,8-hexadeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-1-yl]-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 167583750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).