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

C168H108 — CID 157123768

IUPAC1,2,3,4,5,6,8-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
SMILES[2H]c1c([2H])c([2H])c2c(-c3cc4ccccc4c4ccccc34)c3c([2H])c([2H])c(-c4cccc5ccccc45)c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4c(ccc5ccccc54)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(-c3ccc4c(ccc5ccccc54)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccc4c(ccc5ccccc54)c3)c2c1[2H]
InChIInChI=1S/2C44H28.2C40H26/c1-2-14-30(15-3-1)43-38-22-10-11-23-39(38)44(41-27-31-16-5-7-19-35(31)36-20-8-9-21-37(36)41)40-26-25-32(28-42(40)43)34-24-12-17-29-13-4-6-18-33(29)34;1-2-13-31(14-3-1)43-39-18-8-9-19-40(39)44(34-24-25-38-32(27-34)22-21-30-12-5-7-17-36(30)38)41-26-23-33(28-42(41)43)37-20-10-15-29-11-4-6-16-35(29)37;1-3-11-27(12-4-1)30-21-24-37-38(26-30)39(29-14-5-2-6-15-29)35-17-9-10-18-36(35)40(37)32-22-23-34-31(25-32)20-19-28-13-7-8-16-33(28)34;1-3-11-27(12-4-1)30-21-24-37-38(26-30)40(36-18-10-9-17-35(36)39(37)29-14-5-2-6-15-29)32-22-23-34-31(25-32)20-19-28-13-7-8-16-33(28)34/h2*1-28H;2*1-26H/i10D,11D,22D,23D,25D,26D,28D;8D,9D,18D,19D,23D,26D,28D;2*9D,10D,17D,18D,21D,24D,26D
InChIKeyAIGXNPWGSBMNCZ-ZXHYFNHPSA-N
MW2154.88 g/mol
LogP47.51
Rot. Bonds12

About 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

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 (PubChem CID 157123768) has the molecular formula C168H108 and a molecular weight of 2154.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,5,6,8-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
PubChem CID157123768
Molecular FormulaC168H108
Molecular Weight2154.88 g/mol
Exact Mass2153.02
IUPAC Name1,2,3,4,5,6,8-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
SMILES[2H]c1c([2H])c([2H])c2c(-c3cc4ccccc4c4ccccc34)c3c([2H])c([2H])c(-c4cccc5ccccc45)c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4c(ccc5ccccc54)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(-c3ccc4c(ccc5ccccc54)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccc4c(ccc5ccccc54)c3)c2c1[2H]
InChIInChI=1S/2C44H28.2C40H26/c1-2-14-30(15-3-1)43-38-22-10-11-23-39(38)44(41-27-31-16-5-7-19-35(31)36-20-8-9-21-37(36)41)40-26-25-32(28-42(40)43)34-24-12-17-29-13-4-6-18-33(29)34;1-2-13-31(14-3-1)43-39-18-8-9-19-40(39)44(34-24-25-38-32(27-34)22-21-30-12-5-7-17-36(30)38)41-26-23-33(28-42(41)43)37-20-10-15-29-11-4-6-16-35(29)37;1-3-11-27(12-4-1)30-21-24-37-38(26-30)39(29-14-5-2-6-15-29)35-17-9-10-18-36(35)40(37)32-22-23-34-31(25-32)20-19-28-13-7-8-16-33(28)34;1-3-11-27(12-4-1)30-21-24-37-38(26-30)40(36-18-10-9-17-35(36)39(37)29-14-5-2-6-15-29)32-22-23-34-31(25-32)20-19-28-13-7-8-16-33(28)34/h2*1-28H;2*1-26H/i10D,11D,22D,23D,25D,26D,28D;8D,9D,18D,19D,23D,26D,28D;2*9D,10D,17D,18D,21D,24D,26D
InChIKeyAIGXNPWGSBMNCZ-ZXHYFNHPSA-N
XLogP47.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.88
LogP ≤ 547.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,8-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 with MolForge

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Related Compounds

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-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-7,9-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
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-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene
CID 155641868
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-(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-phenylphenyl)anthracene
CID 155641475
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-7-naphthalen-2-yl-9-phenanthren-2-yl-10-phenylanthracene
CID 155641471
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-7-phenyl-10-(3-phenylphenyl)anthracene
CID 155641816

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(-c3cc4ccccc4c4ccccc34)c3c([2H])c([2H])c(-c4cccc5ccccc45)c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4c(ccc5ccccc54)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(-c3ccc4c(ccc5ccccc54)c3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c(-c4ccccc4)c([2H])c([2H])c3c(-c3ccc4c(ccc5ccccc54)c3)c2c1[2H].
What is the InChIKey of 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?
The InChIKey is AIGXNPWGSBMNCZ-ZXHYFNHPSA-N. The full InChI is InChI=1S/2C44H28.2C40H26/c1-2-14-30(15-3-1)43-38-22-10-11-23-39(38)44(41-27-31-16-5-7-19-35(31)36-20-8-9-21-37(36)41)40-26-25-32(28-42(40)43)34-24-12-17-29-13-4-6-18-33(29)34;1-2-13-31(14-3-1)43-39-18-8-9-19-40(39)44(34-24-25-38-32(27-34)22-21-30-12-5-7-17-36(30)38)41-26-23-33(28-42(41)43)37-20-10-15-29-11-4-6-16-35(29)37;1-3-11-27(12-4-1)30-21-24-37-38(26-30)39(29-14-5-2-6-15-29)35-17-9-10-18-36(35)40(37)32-22-23-34-31(25-32)20-19-28-13-7-8-16-33(28)34;1-3-11-27(12-4-1)30-21-24-37-38(26-30)40(36-18-10-9-17-35(36)39(37)29-14-5-2-6-15-29)32-22-23-34-31(25-32)20-19-28-13-7-8-16-33(28)34/h2*1-28H;2*1-26H/i10D,11D,22D,23D,25D,26D,28D;8D,9D,18D,19D,23D,26D,28D;2*9D,10D,17D,18D,21D,24D,26D.
What are the key properties of 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?
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 has a molecular weight of 2154.88 g/mol, XLogP of 47.51, 12 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-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 is sourced from PubChem (CID 157123768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).