1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran

C138H84O3 — CID 167564133

IUPAC1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cccc(-c6ccc7c(ccc8ccccc87)c6)c5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/3C46H28O/c1-2-13-30(14-3-1)43-36-16-6-8-18-38(36)44(39-19-9-7-17-37(39)43)40-21-11-23-42-46(40)45-35(20-10-22-41(45)47-42)32-26-27-34-31(28-32)25-24-29-12-4-5-15-33(29)34;1-2-12-29(13-3-1)45-37-18-8-10-20-39(37)46(40-21-11-9-19-38(40)45)32-23-25-43-42(27-32)36-24-22-31(28-44(36)47-43)41-26-30-14-4-5-15-33(30)34-16-6-7-17-35(34)41;1-2-12-29(13-3-1)45-36-18-8-10-20-38(36)46(39-21-11-9-19-37(39)45)32-23-25-44-42(28-32)41-27-31(22-24-43(41)47-44)40-26-30-14-4-5-15-33(30)34-16-6-7-17-35(34)40/h3*1-28H/i6D,7D,8D,9D,16D,17D,18D,19D;2*8D,9D,10D,11D,18D,19D,20D,21D
InChIKeyFBBYSUVABKBFMI-OYPTYBLBSA-N
MW1814.33 g/mol
LogP39.60
Rot. Bonds9

About 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran

1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran (PubChem CID 167564133) has the molecular formula C138H84O3 and a molecular weight of 1814.33 g/mol. Its IUPAC name is 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran.

Molecular Properties

Compound Name1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran
PubChem CID167564133
Molecular FormulaC138H84O3
Molecular Weight1814.33 g/mol
Exact Mass1812.79
IUPAC Name1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cccc(-c6ccc7c(ccc8ccccc87)c6)c5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/3C46H28O/c1-2-13-30(14-3-1)43-36-16-6-8-18-38(36)44(39-19-9-7-17-37(39)43)40-21-11-23-42-46(40)45-35(20-10-22-41(45)47-42)32-26-27-34-31(28-32)25-24-29-12-4-5-15-33(29)34;1-2-12-29(13-3-1)45-37-18-8-10-20-39(37)46(40-21-11-9-19-38(40)45)32-23-25-43-42(27-32)36-24-22-31(28-44(36)47-43)41-26-30-14-4-5-15-33(30)34-16-6-7-17-35(34)41;1-2-12-29(13-3-1)45-36-18-8-10-20-38(36)46(39-21-11-9-19-37(39)45)32-23-25-44-42(28-32)41-27-31(22-24-43(41)47-44)40-26-30-14-4-5-15-33(30)34-16-6-7-17-35(34)40/h3*1-28H/i6D,7D,8D,9D,16D,17D,18D,19D;2*8D,9D,10D,11D,18D,19D,20D,21D
InChIKeyFBBYSUVABKBFMI-OYPTYBLBSA-N
XLogP39.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001814.33
LogP ≤ 539.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran 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-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132
3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;3-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167560862
3-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;3-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 159742573
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 158967601
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 159453028
2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenyldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenyldibenzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-1-phenyldibenzofuran
CID 167678624
11-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831072
8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-4-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenanthren-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159262409
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 157306964
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167592116
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164830768
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831080

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran?
The IUPAC name of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran (CID 167564133) is 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran.
What is the SMILES notation for 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran?
The canonical SMILES for 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4oc5cccc(-c6ccc7c(ccc8ccccc87)c6)c5c34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].
What is the InChIKey of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran?
The InChIKey is FBBYSUVABKBFMI-OYPTYBLBSA-N. The full InChI is InChI=1S/3C46H28O/c1-2-13-30(14-3-1)43-36-16-6-8-18-38(36)44(39-19-9-7-17-37(39)43)40-21-11-23-42-46(40)45-35(20-10-22-41(45)47-42)32-26-27-34-31(28-32)25-24-29-12-4-5-15-33(29)34;1-2-12-29(13-3-1)45-37-18-8-10-20-39(37)46(40-21-11-9-19-38(40)45)32-23-25-43-42(27-32)36-24-22-31(28-44(36)47-43)41-26-30-14-4-5-15-33(30)34-16-6-7-17-35(34)41;1-2-12-29(13-3-1)45-36-18-8-10-20-38(36)46(39-21-11-9-19-37(39)45)32-23-25-44-42(28-32)41-27-31(22-24-43(41)47-44)40-26-30-14-4-5-15-33(30)34-16-6-7-17-35(34)40/h3*1-28H/i6D,7D,8D,9D,16D,17D,18D,19D;2*8D,9D,10D,11D,18D,19D,20D,21D.
What are the key properties of 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran?
1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran has a molecular weight of 1814.33 g/mol, XLogP of 39.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran is sourced from PubChem (CID 167564133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).