1-deuteriotetraphenylene

C24H16 — CID 175789126

IUPAC1-deuteriotetraphenylene
SMILES[2H]c1cccc2c1-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C24H16/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22/h1-16H/b19-17-,20-18-,23-21-,24-22-/i9D
InChIKeyKTQYWNARBMKMCX-LZQYTJROSA-N
MW305.40 g/mol
LogP6.67
Rot. Bonds

About 1-deuteriotetraphenylene

1-deuteriotetraphenylene (PubChem CID 175789126) has the molecular formula C24H16 and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-deuteriotetraphenylene.

Molecular Properties

Compound Name1-deuteriotetraphenylene
PubChem CID175789126
Molecular FormulaC24H16
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name1-deuteriotetraphenylene
SMILES[2H]c1cccc2c1-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C24H16/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22/h1-16H/b19-17-,20-18-,23-21-,24-22-/i9D
InChIKeyKTQYWNARBMKMCX-LZQYTJROSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-deuteriotetraphenylene?
The IUPAC name of 1-deuteriotetraphenylene (CID 175789126) is 1-deuteriotetraphenylene.
What is the SMILES notation for 1-deuteriotetraphenylene?
The canonical SMILES for 1-deuteriotetraphenylene is [2H]c1cccc2c1-c1ccccc1-c1ccccc1-c1ccccc1-2.
What is the InChIKey of 1-deuteriotetraphenylene?
The InChIKey is KTQYWNARBMKMCX-LZQYTJROSA-N. The full InChI is InChI=1S/C24H16/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22/h1-16H/b19-17-,20-18-,23-21-,24-22-/i9D.
What are the key properties of 1-deuteriotetraphenylene?
1-deuteriotetraphenylene has a molecular weight of 305.40 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriotetraphenylene is sourced from PubChem (CID 175789126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).