9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran

C100H63NO2 — CID 158708632

IUPAC9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C50H31NO.C50H32O/c1-2-14-33(15-3-1)47-38-18-4-6-20-40(38)48(41-21-7-5-19-39(41)47)34-28-26-32(27-29-34)35-30-31-46-49(42-22-10-13-25-45(42)52-46)50(35)51-43-23-11-8-16-36(43)37-17-9-12-24-44(37)51;1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-39(31-32-46-50(49)44-21-11-12-22-45(44)51-46)35-25-29-37(30-26-35)48-42-19-9-7-17-40(42)47(36-15-5-2-6-16-36)41-18-8-10-20-43(41)48/h1-31H;1-32H/i1D,2D,3D,14D,15D;2D,5D,6D,15D,16D
InChIKeyIIKZHTSXTXNIDR-YAXICZRQSA-N
MW1320.67 g/mol
LogP28.22
Rot. Bonds9

About 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran

9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran (PubChem CID 158708632) has the molecular formula C100H63NO2 and a molecular weight of 1320.67 g/mol. Its IUPAC name is 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran
PubChem CID158708632
Molecular FormulaC100H63NO2
Molecular Weight1320.67 g/mol
Exact Mass1319.55
IUPAC Name9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C50H31NO.C50H32O/c1-2-14-33(15-3-1)47-38-18-4-6-20-40(38)48(41-21-7-5-19-39(41)47)34-28-26-32(27-29-34)35-30-31-46-49(42-22-10-13-25-45(42)52-46)50(35)51-43-23-11-8-16-36(43)37-17-9-12-24-44(37)51;1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-39(31-32-46-50(49)44-21-11-12-22-45(44)51-46)35-25-29-37(30-26-35)48-42-19-9-7-17-40(42)47(36-15-5-2-6-16-36)41-18-8-10-20-43(41)48/h1-31H;1-32H/i1D,2D,3D,14D,15D;2D,5D,6D,15D,16D
InChIKeyIIKZHTSXTXNIDR-YAXICZRQSA-N
XLogP28.22
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.67
LogP ≤ 528.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran with MolForge

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Related Compounds

2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-phenyldibenzofuran
CID 140831320
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662227
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-phenyldibenzofuran;1-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167659493
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653669
1-phenyl-2-[10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653985
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-phenyldibenzofuran
CID 165169817
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 134164763
5,6,7,8-tetradeuterio-N,N-dimethyl-9-phenyl-10-[4-(2-phenyldibenzofuran-1-yl)phenyl]anthracen-2-amine
CID 165170010
2-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663486
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(4-phenylphenyl)dibenzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2,3,4-trideuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 167611859
2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-1-phenyldibenzofuran;2-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-phenyldibenzofuran;9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole
CID 167656237

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran?
The IUPAC name of 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran (CID 158708632) is 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran.
What is the SMILES notation for 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran?
The canonical SMILES for 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc(-c5ccccc5)cc4)cc3)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c([2H])c1[2H].
What is the InChIKey of 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran?
The InChIKey is IIKZHTSXTXNIDR-YAXICZRQSA-N. The full InChI is InChI=1S/C50H31NO.C50H32O/c1-2-14-33(15-3-1)47-38-18-4-6-20-40(38)48(41-21-7-5-19-39(41)47)34-28-26-32(27-29-34)35-30-31-46-49(42-22-10-13-25-45(42)52-46)50(35)51-43-23-11-8-16-36(43)37-17-9-12-24-44(37)51;1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-39(31-32-46-50(49)44-21-11-12-22-45(44)51-46)35-25-29-37(30-26-35)48-42-19-9-7-17-40(42)47(36-15-5-2-6-16-36)41-18-8-10-20-43(41)48/h1-31H;1-32H/i1D,2D,3D,14D,15D;2D,5D,6D,15D,16D.
What are the key properties of 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran?
9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran has a molecular weight of 1320.67 g/mol, XLogP of 28.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran-1-yl]carbazole;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)dibenzofuran is sourced from PubChem (CID 158708632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).