9-chloro-2,3-diphenylphenanthro[9,10-b]furan

C28H17ClO — CID 155105838

IUPAC9-chloro-2,3-diphenylphenanthro[9,10-b]furan
SMILESClc1ccc2c(c1)c1ccccc1c1c(-c3ccccc3)c(-c3ccccc3)oc21
InChIInChI=1S/C28H17ClO/c29-20-15-16-23-24(17-20)21-13-7-8-14-22(21)26-25(18-9-3-1-4-10-18)27(30-28(23)26)19-11-5-2-6-12-19/h1-17H
InChIKeyWRQCKLMLFTZSLA-UHFFFAOYSA-N
MW404.90 g/mol
LogP8.73
Rot. Bonds2

About 9-chloro-2,3-diphenylphenanthro[9,10-b]furan

9-chloro-2,3-diphenylphenanthro[9,10-b]furan (PubChem CID 155105838) has the molecular formula C28H17ClO and a molecular weight of 404.90 g/mol. Its IUPAC name is 9-chloro-2,3-diphenylphenanthro[9,10-b]furan.

Molecular Properties

Compound Name9-chloro-2,3-diphenylphenanthro[9,10-b]furan
PubChem CID155105838
Molecular FormulaC28H17ClO
Molecular Weight404.90 g/mol
Exact Mass404.10
IUPAC Name9-chloro-2,3-diphenylphenanthro[9,10-b]furan
SMILESClc1ccc2c(c1)c1ccccc1c1c(-c3ccccc3)c(-c3ccccc3)oc21
InChIInChI=1S/C28H17ClO/c29-20-15-16-23-24(17-20)21-13-7-8-14-22(21)26-25(18-9-3-1-4-10-18)27(30-28(23)26)19-11-5-2-6-12-19/h1-17H
InChIKeyWRQCKLMLFTZSLA-UHFFFAOYSA-N
XLogP8.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,3-diphenylphenanthro[9,10-b]furan?
The IUPAC name of 9-chloro-2,3-diphenylphenanthro[9,10-b]furan (CID 155105838) is 9-chloro-2,3-diphenylphenanthro[9,10-b]furan.
What is the SMILES notation for 9-chloro-2,3-diphenylphenanthro[9,10-b]furan?
The canonical SMILES for 9-chloro-2,3-diphenylphenanthro[9,10-b]furan is Clc1ccc2c(c1)c1ccccc1c1c(-c3ccccc3)c(-c3ccccc3)oc21.
What is the InChIKey of 9-chloro-2,3-diphenylphenanthro[9,10-b]furan?
The InChIKey is WRQCKLMLFTZSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClO/c29-20-15-16-23-24(17-20)21-13-7-8-14-22(21)26-25(18-9-3-1-4-10-18)27(30-28(23)26)19-11-5-2-6-12-19/h1-17H.
What are the key properties of 9-chloro-2,3-diphenylphenanthro[9,10-b]furan?
9-chloro-2,3-diphenylphenanthro[9,10-b]furan has a molecular weight of 404.90 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,3-diphenylphenanthro[9,10-b]furan is sourced from PubChem (CID 155105838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).