CID 88960291

C34H20B2F4 — CID 88960291

IUPAC—
SMILES[B]Cc1c(-c2cc(F)cc(F)c2)cc2ccccc2c1-c1c(C[B])c(-c2cc(F)cc(F)c2)cc2ccccc12
InChIInChI=1S/C34H20B2F4/c35-17-31-29(21-9-23(37)15-24(38)10-21)13-19-5-1-3-7-27(19)33(31)34-28-8-4-2-6-20(28)14-30(32(34)18-36)22-11-25(39)16-26(40)12-22/h1-16H,17-18H2
InChIKeySIVFWJFRLVADTJ-UHFFFAOYSA-N
MW526.15 g/mol
LogP8.89
Rot. Bonds5

About CID 88960291

CID 88960291 (PubChem CID 88960291) has the molecular formula C34H20B2F4 and a molecular weight of 526.15 g/mol.

Molecular Properties

Compound NameCID 88960291
PubChem CID88960291
Molecular FormulaC34H20B2F4
Molecular Weight526.15 g/mol
Exact Mass526.17
IUPAC Name—
SMILES[B]Cc1c(-c2cc(F)cc(F)c2)cc2ccccc2c1-c1c(C[B])c(-c2cc(F)cc(F)c2)cc2ccccc12
InChIInChI=1S/C34H20B2F4/c35-17-31-29(21-9-23(37)15-24(38)10-21)13-19-5-1-3-7-27(19)33(31)34-28-8-4-2-6-20(28)14-30(32(34)18-36)22-11-25(39)16-26(40)12-22/h1-16H,17-18H2
InChIKeySIVFWJFRLVADTJ-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.15
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium
CID 139474801
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
CID 167155329
(3-fluoro-5-naphthalen-1-ylphenyl)boronic acid
CID 138113017
3-(3-fluorophenyl)-1-phenylnaphthalene
CID 176904278
8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene
CID 89177953
1,3-difluoro-5-[2-(3-methylbutyl)phenyl]benzene
CID 157378701
1-fluoro-3-(3-fluorophenyl)naphthalene
CID 46313976
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164886915

Frequently Asked Questions

What is the IUPAC name of CID 88960291?
The IUPAC name of CID 88960291 (CID 88960291) is not available.
What is the SMILES notation for CID 88960291?
The canonical SMILES for CID 88960291 is [B]Cc1c(-c2cc(F)cc(F)c2)cc2ccccc2c1-c1c(C[B])c(-c2cc(F)cc(F)c2)cc2ccccc12.
What is the InChIKey of CID 88960291?
The InChIKey is SIVFWJFRLVADTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20B2F4/c35-17-31-29(21-9-23(37)15-24(38)10-21)13-19-5-1-3-7-27(19)33(31)34-28-8-4-2-6-20(28)14-30(32(34)18-36)22-11-25(39)16-26(40)12-22/h1-16H,17-18H2.
What are the key properties of CID 88960291?
CID 88960291 has a molecular weight of 526.15 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88960291 is sourced from PubChem (CID 88960291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).