2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene

C34H22 — CID 140869774

IUPAC2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
SMILES[2H]c1ccc2c(-c3ccc4ccccc4c3)c3cc([2H])ccc3c(-c3ccc4ccccc4c3)c2c1
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/i5D,8D
InChIKeyVIZUPBYFLORCRA-VBCVTXNDSA-N
MW432.56 g/mol
LogP9.63
Rot. Bonds2

About 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene

2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene (PubChem CID 140869774) has the molecular formula C34H22 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
PubChem CID140869774
Molecular FormulaC34H22
Molecular Weight432.56 g/mol
Exact Mass432.18
IUPAC Name2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
SMILES[2H]c1ccc2c(-c3ccc4ccccc4c3)c3cc([2H])ccc3c(-c3ccc4ccccc4c3)c2c1
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/i5D,8D
InChIKeyVIZUPBYFLORCRA-VBCVTXNDSA-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 ≤ 500432.56
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

9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 167406624
1,2,3,4-tetradeuterio-6,9,10-trinaphthalen-2-ylanthracene
CID 58518603
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene
CID 167405821
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734

Frequently Asked Questions

What is the IUPAC name of 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene (CID 140869774) is 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene is [2H]c1ccc2c(-c3ccc4ccccc4c3)c3cc([2H])ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is VIZUPBYFLORCRA-VBCVTXNDSA-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/i5D,8D.
What are the key properties of 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene?
2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 432.56 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 2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 140869774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).