1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene

C156H106 — CID 160626262

IUPAC1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)cc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccccc4)c3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc(-c4ccccc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H]
InChIInChI=1S/C42H28.3C38H26/c1-3-12-29(13-4-1)30-22-24-33(25-23-30)41-37-19-9-10-20-38(37)42(32-15-5-2-6-16-32)40-28-34(26-27-39(40)41)36-21-11-17-31-14-7-8-18-35(31)36;1-4-13-27(14-5-1)30-19-12-20-32(25-30)38-34-22-11-10-21-33(34)37(29-17-8-3-9-18-29)36-26-31(23-24-35(36)38)28-15-6-2-7-16-28;1-4-13-27(14-5-1)30-19-12-20-32(25-30)38-34-22-11-10-21-33(34)37(29-17-8-3-9-18-29)35-24-23-31(26-36(35)38)28-15-6-2-7-16-28;1-4-12-27(13-5-1)29-20-22-31(23-21-29)38-34-19-11-10-18-33(34)37(30-16-8-3-9-17-30)35-25-24-32(26-36(35)38)28-14-6-2-7-15-28/h1-28H;3*1-26H/i9D,10D,19D,20D,26D,27D,28D;2*10D,11D,21D,22D,23D,24D,26D;10D,11D,18D,19D,24D,25D,26D
InChIKeyRHIKSSHNKQCMPZ-KFGYCEOGSA-N
MW2008.73 g/mol
LogP43.80
Rot. Bonds16

About 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene

1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene (PubChem CID 160626262) has the molecular formula C156H106 and a molecular weight of 2008.73 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene
PubChem CID160626262
Molecular FormulaC156H106
Molecular Weight2008.73 g/mol
Exact Mass2007.01
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)cc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccccc4)c3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc(-c4ccccc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H]
InChIInChI=1S/C42H28.3C38H26/c1-3-12-29(13-4-1)30-22-24-33(25-23-30)41-37-19-9-10-20-38(37)42(32-15-5-2-6-16-32)40-28-34(26-27-39(40)41)36-21-11-17-31-14-7-8-18-35(31)36;1-4-13-27(14-5-1)30-19-12-20-32(25-30)38-34-22-11-10-21-33(34)37(29-17-8-3-9-18-29)36-26-31(23-24-35(36)38)28-15-6-2-7-16-28;1-4-13-27(14-5-1)30-19-12-20-32(25-30)38-34-22-11-10-21-33(34)37(29-17-8-3-9-18-29)35-24-23-31(26-36(35)38)28-15-6-2-7-16-28;1-4-12-27(13-5-1)29-20-22-31(23-21-29)38-34-19-11-10-18-33(34)37(30-16-8-3-9-17-30)35-25-24-32(26-36(35)38)28-14-6-2-7-15-28/h1-28H;3*1-26H/i9D,10D,19D,20D,26D,27D,28D;2*10D,11D,21D,22D,23D,24D,26D;10D,11D,18D,19D,24D,25D,26D
InChIKeyRHIKSSHNKQCMPZ-KFGYCEOGSA-N
XLogP43.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.73
LogP ≤ 543.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene with MolForge

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-10-(3,5-diphenylphenyl)-7-naphthalen-1-yl-9-phenylanthracene
CID 155641902
1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 158761023
1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene
CID 155641868
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-7-phenyl-10-(3-phenylphenyl)anthracene
CID 155641816
1,2,3,4,5,6,8-heptadeuterio-7,9-dinaphthalen-2-yl-10-(2-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-(2-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 158558266
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-7-naphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 155641769
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-7-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 155641475
1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-phenanthren-2-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-phenanthren-9-yl-9-phenylanthracene;1,2,3,4,5,6,8-heptadeuterio-9-phenanthren-2-yl-7,10-diphenylanthracene;1,2,3,4,5,6,8-heptadeuterio-10-phenanthren-2-yl-7,9-diphenylanthracene
CID 157123768
1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-phenanthren-9-yl-9-phenylanthracene
CID 155641601
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-10-naphthalen-2-yl-7-phenylanthracene
CID 155641618
1,2,3,4,5,6,8-heptadeuterio-10-naphthalen-1-yl-9-naphthalen-2-yl-7-phenylanthracene
CID 155641849
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-10-phenyl-7-(4-phenylnaphthalen-1-yl)anthracene
CID 167425230

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene (CID 160626262) is 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3ccc(-c4ccccc4)cc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccccc4)c3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4cccc5ccccc45)c([2H])c([2H])c3c(-c3ccc(-c4ccccc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3cccc(-c4ccccc4)c3)c2c1[2H].
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene?
The InChIKey is RHIKSSHNKQCMPZ-KFGYCEOGSA-N. The full InChI is InChI=1S/C42H28.3C38H26/c1-3-12-29(13-4-1)30-22-24-33(25-23-30)41-37-19-9-10-20-38(37)42(32-15-5-2-6-16-32)40-28-34(26-27-39(40)41)36-21-11-17-31-14-7-8-18-35(31)36;1-4-13-27(14-5-1)30-19-12-20-32(25-30)38-34-22-11-10-21-33(34)37(29-17-8-3-9-18-29)36-26-31(23-24-35(36)38)28-15-6-2-7-16-28;1-4-13-27(14-5-1)30-19-12-20-32(25-30)38-34-22-11-10-21-33(34)37(29-17-8-3-9-18-29)35-24-23-31(26-36(35)38)28-15-6-2-7-16-28;1-4-12-27(13-5-1)29-20-22-31(23-21-29)38-34-19-11-10-18-33(34)37(30-16-8-3-9-17-30)35-25-24-32(26-36(35)38)28-14-6-2-7-15-28/h1-28H;3*1-26H/i9D,10D,19D,20D,26D,27D,28D;2*10D,11D,21D,22D,23D,24D,26D;10D,11D,18D,19D,24D,25D,26D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene?
1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene has a molecular weight of 2008.73 g/mol, XLogP of 43.80, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7,9-diphenyl-10-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(3-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7,10-diphenyl-9-(4-phenylphenyl)anthracene;1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 160626262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).