benzo[b]triphenylene

C22H14 — CID 9164

IUPACbenzo[b]triphenylene
SMILESc1ccc2cc3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
InChIKeyRAASUWZPTOJQAY-UHFFFAOYSA-N
MW278.35 g/mol
LogP6.30
Rot. Bonds

About benzo[b]triphenylene

benzo[b]triphenylene (PubChem CID 9164) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzo[b]triphenylene.

Molecular Properties

Compound Namebenzo[b]triphenylene
PubChem CID9164
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Namebenzo[b]triphenylene
SMILESc1ccc2cc3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
InChIKeyRAASUWZPTOJQAY-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[b]triphenylene?
The IUPAC name of benzo[b]triphenylene (CID 9164) is benzo[b]triphenylene.
What is the SMILES notation for benzo[b]triphenylene?
The canonical SMILES for benzo[b]triphenylene is c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1.
What is the InChIKey of benzo[b]triphenylene?
The InChIKey is RAASUWZPTOJQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H.
What are the key properties of benzo[b]triphenylene?
benzo[b]triphenylene has a molecular weight of 278.35 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]triphenylene is sourced from PubChem (CID 9164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).