1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene

C34H20F4 — CID 24827241

IUPAC1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
SMILESFc1c(F)c(F)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1F
InChIInChI=1S/C34H20F4/c35-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)32(36)34(38)33(31)37/h1-20H
InChIKeySYNIGQLYSVHKSG-UHFFFAOYSA-N
MW504.53 g/mol
LogP10.06
Rot. Bonds4

About 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene

1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene (PubChem CID 24827241) has the molecular formula C34H20F4 and a molecular weight of 504.53 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
PubChem CID24827241
Molecular FormulaC34H20F4
Molecular Weight504.53 g/mol
Exact Mass504.15
IUPAC Name1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
SMILESFc1c(F)c(F)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1F
InChIInChI=1S/C34H20F4/c35-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)32(36)34(38)33(31)37/h1-20H
InChIKeySYNIGQLYSVHKSG-UHFFFAOYSA-N
XLogP10.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene?
The IUPAC name of 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene (CID 24827241) is 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene is Fc1c(F)c(F)c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene?
The InChIKey is SYNIGQLYSVHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F4/c35-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)32(36)34(38)33(31)37/h1-20H.
What are the key properties of 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene?
1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene has a molecular weight of 504.53 g/mol, XLogP of 10.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene is sourced from PubChem (CID 24827241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).