9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene

C40H26 — CID 140620857

IUPAC9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3c2)c([2H])c1[2H]
InChIInChI=1S/C40H26/c1-2-11-27(12-3-1)30-23-21-28-22-24-31(26-32(28)25-30)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-29-13-4-5-15-33(29)34/h1-26H/i1D,2D,3D,11D,12D
InChIKeyPOMXBBXHCIKLSD-QJJXXHCMSA-N
MW511.68 g/mol
LogP11.30
Rot. Bonds3

About 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene

9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene (PubChem CID 140620857) has the molecular formula C40H26 and a molecular weight of 511.68 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene
PubChem CID140620857
Molecular FormulaC40H26
Molecular Weight511.68 g/mol
Exact Mass511.23
IUPAC Name9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3c2)c([2H])c1[2H]
InChIInChI=1S/C40H26/c1-2-11-27(12-3-1)30-23-21-28-22-24-31(26-32(28)25-30)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-29-13-4-5-15-33(29)34/h1-26H/i1D,2D,3D,11D,12D
InChIKeyPOMXBBXHCIKLSD-QJJXXHCMSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.68
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(3,5-diphenylphenyl)-10-phenylanthracene;9-naphthalen-1-yl-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 163814525
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 159008970
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 162156061
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[5-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 176726740
9-(3,5-diphenylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene;9-(3-naphthalen-2-ylphenyl)-10-[3-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracene
CID 158982412
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 155641522
9-(3,5-diphenylphenyl)-10-[10-(3,5-diphenylphenyl)anthracen-9-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 158975845
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
CID 164959278
CID 164959278
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-naphthalen-2-ylanthracene;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 164992403

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene (CID 140620857) is 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene is [2H]c1c([2H])c([2H])c(-c2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3c2)c([2H])c1[2H].
What is the InChIKey of 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene?
The InChIKey is POMXBBXHCIKLSD-QJJXXHCMSA-N. The full InChI is InChI=1S/C40H26/c1-2-11-27(12-3-1)30-23-21-28-22-24-31(26-32(28)25-30)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-29-13-4-5-15-33(29)34/h1-26H/i1D,2D,3D,11D,12D.
What are the key properties of 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene?
9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene has a molecular weight of 511.68 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 140620857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).