1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene

C36H24 — CID 153474320

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3cc(-c4ccccc4)cc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C36H24/c1-3-13-25(14-4-1)28-23-27-17-7-8-18-29(27)34(24-28)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-24H/i9D,10D,11D,12D,19D,20D,21D,22D
InChIKeyJEKCHBVYGGQFCF-RTOUBOGYSA-N
MW464.64 g/mol
LogP10.15
Rot. Bonds3

About 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene

1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene (PubChem CID 153474320) has the molecular formula C36H24 and a molecular weight of 464.64 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene
PubChem CID153474320
Molecular FormulaC36H24
Molecular Weight464.64 g/mol
Exact Mass464.24
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3cc(-c4ccccc4)cc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C36H24/c1-3-13-25(14-4-1)28-23-27-17-7-8-18-29(27)34(24-28)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-24H/i9D,10D,11D,12D,19D,20D,21D,22D
InChIKeyJEKCHBVYGGQFCF-RTOUBOGYSA-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 ≤ 500464.64
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-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 159427233
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153474815
1,2,3,4,6,7,9-heptadeuterio-8-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 170664175
8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-3-phenylbenzo[c]phenanthrene
CID 162703157
5-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]benzo[c]phenanthrene
CID 156663099
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
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
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-naphthalen-2-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176646952
21-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 162703175
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-10-(3,5-diphenylphenyl)-7-naphthalen-1-yl-9-phenylanthracene
CID 155641902

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene (CID 153474320) is 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3cc(-c4ccccc4)cc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene?
The InChIKey is JEKCHBVYGGQFCF-RTOUBOGYSA-N. The full InChI is InChI=1S/C36H24/c1-3-13-25(14-4-1)28-23-27-17-7-8-18-29(27)34(24-28)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-24H/i9D,10D,11D,12D,19D,20D,21D,22D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene?
1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene has a molecular weight of 464.64 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 1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 153474320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).