2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran

C152H96O4 — CID 160983299

IUPAC2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3)c2c1[2H].c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/4C38H24O/c2*1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;2*1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36/h4*1-24H/i4D,5D,6D,7D,16D,17D,18D,19D;;6D,7D,8D,9D,17D,18D,19D,20D;
InChIKeySZUGCHIOLZQGEH-QBLYAPCVSA-N
MW2002.53 g/mol
LogP43.57
Rot. Bonds12

About 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran

2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 160983299) has the molecular formula C152H96O4 and a molecular weight of 2002.53 g/mol. Its IUPAC name is 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID160983299
Molecular FormulaC152H96O4
Molecular Weight2002.53 g/mol
Exact Mass2000.83
IUPAC Name2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3)c2c1[2H].c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/4C38H24O/c2*1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;2*1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36/h4*1-24H/i4D,5D,6D,7D,16D,17D,18D,19D;;6D,7D,8D,9D,17D,18D,19D,20D;
InChIKeySZUGCHIOLZQGEH-QBLYAPCVSA-N
XLogP43.57
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002002.53
LogP ≤ 543.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 153474857
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 176646920
2-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-8-phenyldibenzofuran
CID 170664060
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153436479
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
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
2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663547
2-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170654038
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
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
2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenyldibenzofuran
CID 153474920
1,2,3,4,6-pentadeuterio-5-phenyl-8-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653667

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 160983299) is 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5ccccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4oc5ccccc5c4c3)c2c1[2H].c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is SZUGCHIOLZQGEH-QBLYAPCVSA-N. The full InChI is InChI=1S/4C38H24O/c2*1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;2*1-2-12-25(13-3-1)27-14-4-5-16-29(27)38-32-19-8-6-17-30(32)37(31-18-7-9-20-33(31)38)26-22-23-36-34(24-26)28-15-10-11-21-35(28)39-36/h4*1-24H/i4D,5D,6D,7D,16D,17D,18D,19D;;6D,7D,8D,9D,17D,18D,19D,20D;.
What are the key properties of 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran?
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 2002.53 g/mol, XLogP of 43.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 160983299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).