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

C34H22 — CID 167405821

IUPAC9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C34H22/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H/i1D,3D,9D,11D,17D,19D,21D
InChIKeyVIZUPBYFLORCRA-WTTAWGICSA-N
MW437.59 g/mol
LogP9.63
Rot. Bonds2

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

9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene (PubChem CID 167405821) has the molecular formula C34H22 and a molecular weight of 437.59 g/mol. Its IUPAC name is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene
PubChem CID167405821
Molecular FormulaC34H22
Molecular Weight437.59 g/mol
Exact Mass437.22
IUPAC Name9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene
SMILES[2H]c1c([2H])c([2H])c2c([2H])c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C34H22/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H/i1D,3D,9D,11D,17D,19D,21D
InChIKeyVIZUPBYFLORCRA-WTTAWGICSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 59.63
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

2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
CID 140869774
9-naphthalen-2-yl-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracene
CID 167406859
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracene
CID 167407292
1,3,4,6,7,9-hexadeuterio-2-naphthalen-1-yl-8-[7-[2,3,6,7-tetradeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 167419399
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 153473697
6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-2-phenyl-3-[1,2,3,4-tetradeuterio-10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-1-benzofuran
CID 164787467
1,2,3,4-tetradeuterio-6,9,10-trinaphthalen-2-ylanthracene
CID 58518603
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
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
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 164779731
3-[10-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662980
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracene
CID 58142215

Frequently Asked Questions

What is the IUPAC name of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene (CID 167405821) is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene is [2H]c1c([2H])c([2H])c2c([2H])c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
The InChIKey is VIZUPBYFLORCRA-WTTAWGICSA-N. The full InChI is InChI=1S/C34H22/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H/i1D,3D,9D,11D,17D,19D,21D.
What are the key properties of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene?
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene has a molecular weight of 437.59 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 167405821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).