9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene

C36H24 — CID 140926355

IUPAC9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C36H24/c1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30/h1-24H/i4D,5D,10D,13D,14D,15D,20D
InChIKeyXOQLIQWNABLFTO-HYMFQMQSSA-N
MW463.63 g/mol
LogP10.15
Rot. Bonds3

About 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene

9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene (PubChem CID 140926355) has the molecular formula C36H24 and a molecular weight of 463.63 g/mol. Its IUPAC name is 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
PubChem CID140926355
Molecular FormulaC36H24
Molecular Weight463.63 g/mol
Exact Mass463.23
IUPAC Name9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C36H24/c1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30/h1-24H/i4D,5D,10D,13D,14D,15D,20D
InChIKeyXOQLIQWNABLFTO-HYMFQMQSSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 510.15
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

2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-8-phenyldibenzofuran
CID 170664348
1,2,3,4,6,7,9-heptadeuterio-8-[4-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 170663006
1,2,3,4,5,6,8-heptadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-[4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-7-phenylanthracene
CID 155641783
1,2,3,4,7,8,9-heptadeuterio-6-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167405399
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracene
CID 162507875
2,3,4,6,7,8-hexadeuterio-1-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-9-phenyldibenzofuran
CID 170661850
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-(5-phenylnaphthalen-1-yl)-10-(3-phenylphenyl)anthracene
CID 167665462
9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracene
CID 166587690
1,2,3,4-tetradeuterio-8-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 176815556
2-[10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-6-phenyldibenzofuran
CID 170663097
1-deuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracene
CID 164842244
1,2,3,7,8,9-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167406783

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene (CID 140926355) is 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
The InChIKey is XOQLIQWNABLFTO-HYMFQMQSSA-N. The full InChI is InChI=1S/C36H24/c1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30/h1-24H/i4D,5D,10D,13D,14D,15D,20D.
What are the key properties of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene has a molecular weight of 463.63 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 140926355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).